(2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid

C10H10ClNO3S — CID 142708990

IUPAC(2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid
SMILESO=C(N[C@@H](CS)C(=O)O)c1ccccc1Cl
InChIInChI=1S/C10H10ClNO3S/c11-7-4-2-1-3-6(7)9(13)12-8(5-16)10(14)15/h1-4,8,16H,5H2,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyHEJFLGXDXXJNAA-QMMMGPOBSA-N
MW259.71 g/mol
LogP1.45
Rot. Bonds4

About (2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid

(2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid (PubChem CID 142708990) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is (2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid
PubChem CID142708990
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name(2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid
SMILESO=C(N[C@@H](CS)C(=O)O)c1ccccc1Cl
InChIInChI=1S/C10H10ClNO3S/c11-7-4-2-1-3-6(7)9(13)12-8(5-16)10(14)15/h1-4,8,16H,5H2,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyHEJFLGXDXXJNAA-QMMMGPOBSA-N
XLogP1.45
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2-acetylbenzoyl)amino]-3-sulfanylpropanoic acid
CID 175133193
2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid
CID 87373520
2-[(2-iodobenzoyl)amino]-3-sulfanylpropanoic acid
CID 16775410
2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid
CID 16778206
(2R)-4-amino-2-[(2-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 2302928
2-[(2-chlorobenzoyl)amino]-3-ethoxypropanoic acid
CID 70817327
(2R)-2-[(2-pentylbenzoyl)amino]-3-sulfanylpropanoic acid
CID 142708966
(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 2304951
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
(2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoic acid
CID 54554377
(2S)-2-[(2-fluorobenzoyl)amino]-4-sulfanylbutanoic acid
CID 142708958
(2S)-2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166239591

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid (CID 142708990) is (2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid is O=C(N[C@@H](CS)C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid?
The InChIKey is HEJFLGXDXXJNAA-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c11-7-4-2-1-3-6(7)9(13)12-8(5-16)10(14)15/h1-4,8,16H,5H2,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid?
(2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid has a molecular weight of 259.71 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid is sourced from PubChem (CID 142708990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).