(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride

C9H12ClNO2S — CID 13192756

IUPAC(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride
SMILESCl.N[C@@H](CSc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2S.ClH/c10-8(9(11)12)6-13-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m0./s1
InChIKeyVIJWANVOUKAXJH-QRPNPIFTSA-N
MW233.72 g/mol
LogP1.61
Rot. Bonds4

About (2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride

(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride (PubChem CID 13192756) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is (2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride
PubChem CID13192756
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride
SMILESCl.N[C@@H](CSc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2S.ClH/c10-8(9(11)12)6-13-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m0./s1
InChIKeyVIJWANVOUKAXJH-QRPNPIFTSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(2-phenylsulfanylethylsulfanyl)propanoic acid
CID 107773078
2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid
CID 62647718
2-amino-3-(4-ethylphenyl)sulfanylpropanoic acid
CID 117034707
2-hydroxy-3-phenylsulfanylpropanoic acid
CID 14591356
2-amino-6-phenylsulfanylhexanoic acid
CID 3724865
(2S)-2-phenyl-3-phenylsulfanylpropanamide
CID 59979029
2-amino-3-(2-propan-2-ylquinazolin-4-yl)sulfanylpropanoic acid
CID 21003890
(3R)-3-amino-1,4-bis(phenylsulfanyl)butan-2-ol
CID 54276659
methyl 3-phenylsulfanyl-2-(phenylsulfanylmethyl)propanoate
CID 13347330
2-amino-4-phenylsulfanylbutanamide
CID 63033398
(2S)-2-amino-3-(2-nitrophenyl)sulfanylpropanoic acid
CID 13375100
(2S)-2-amino-N-(2-phenylsulfanylethyl)propanamide;hydrochloride
CID 119272241

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride (CID 13192756) is (2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride is Cl.N[C@@H](CSc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride?
The InChIKey is VIJWANVOUKAXJH-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11NO2S.ClH/c10-8(9(11)12)6-13-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m0./s1.
What are the key properties of (2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride?
(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride has a molecular weight of 233.72 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride is sourced from PubChem (CID 13192756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).