151
  Mrv0541 02231214282D          

  7  6  0  0  1  0            999 V2000
    2.0930   -0.9818    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.6683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.2558    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8075   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  7  2  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00151

> <DRUG_GROUPS>
approved; nutraceutical

> <GENERIC_NAME>
L-Cysteine

> <SYNONYMS>
(R)-2-Amino-3-mercaptopropanoic acid; (R)-Cysteine; 2-Amino-3-mercaptopropionic acid; 3-mercapto-L-Alanine; b-Mercaptoalanine; carbocysteine; Cys; Cystein; Half-cystine; L-(+)-Cysteine; L-2-Amino-3-mercaptopropionic acid; L-Cys; Thioserine

> <CHEMICAL_FORMULA>
C3H7NO2S

> <MOLECULAR_WEIGHT>
121.158

> <EXACT_MASS>
121.019749163

> <IUPAC_NAME>
(2R)-2-amino-3-sulfanylpropanoic acid

> <INCHI_IDENTIFIER>
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1

> <INCHI_KEY>
InChIKey=XUJNEKJLAYXESH-REOHCLBHSA-N

> <SMILES>
N[C@@H](CS)C(O)=O

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_ACIDIC_PKA>
10.17

> <ALOGPS_LOGP>
-2.6

> <JCHEM_LOGP>
-2.8

> <ALOGPS_LOGS>
-0.72

> <JCHEM_POLARIZABILITY>
11.46

> <JCHEM_POLAR_SURFACE_AREA>
63.32

> <JCHEM_REFRACTIVITY>
28.22

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <ALOGPS_SOLUBILITY>
2.31e+01 g/l

$$$$