2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid

C9H10ClNO2S — CID 62647718

IUPAC2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid
SMILESNC(CSc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C9H10ClNO2S/c10-6-2-1-3-7(4-6)14-5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKeyVQYLCIBXTWCLIN-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.84
Rot. Bonds4

About 2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid

2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid (PubChem CID 62647718) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid
PubChem CID62647718
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Name2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid
SMILESNC(CSc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C9H10ClNO2S/c10-6-2-1-3-7(4-6)14-5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKeyVQYLCIBXTWCLIN-UHFFFAOYSA-N
XLogP1.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-phenylsulfanylpropanoic acid;hydrochloride
CID 13192756
methyl 2-amino-4-(3-chlorophenyl)sulfanylbutanoate
CID 63034938
2-(3-chlorophenyl)sulfanylacetamide
CID 62647381
4-(3-chlorophenyl)sulfanylbutane-1,3-diol
CID 104827170
(2R)-2-amino-3-[(3-chlorophenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 57326474
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
1-(3-chlorophenyl)sulfanyl-4,6-dimethylheptan-2-amine
CID 114200949
2-amino-2-(3-chlorophenyl)sulfanylethanol
CID 117034655
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309
ethyl 3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanoate
CID 55101614
2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
CID 66148494
2-amino-3-(3-chlorophenyl)sulfanyl-2-methylpropanoic acid
CID 62647550

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid?
The IUPAC name of 2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid (CID 62647718) is 2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid.
What is the SMILES notation for 2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid?
The canonical SMILES for 2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid is NC(CSc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of 2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid?
The InChIKey is VQYLCIBXTWCLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c10-6-2-1-3-7(4-6)14-5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13).
What are the key properties of 2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid?
2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid has a molecular weight of 231.70 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-chlorophenyl)sulfanylpropanoic acid is sourced from PubChem (CID 62647718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).