(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid

C10H10ClNO4 — CID 23793307

IUPAC(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
SMILESO=C(N[C@@H](CO)C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClNO4/c11-7-3-1-2-6(4-7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeySHNSPHLPESFZIK-QMMMGPOBSA-N
MW243.65 g/mol
LogP0.52
Rot. Bonds4

About (2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid

(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid (PubChem CID 23793307) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is (2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
PubChem CID23793307
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
SMILESO=C(N[C@@H](CO)C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClNO4/c11-7-3-1-2-6(4-7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeySHNSPHLPESFZIK-QMMMGPOBSA-N
XLogP0.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 4135322
(2S)-2-[(3-chlorobenzoyl)amino]pentanedioic acid
CID 61152009
2-[(3-chlorobenzoyl)amino]hexanoic acid
CID 43386912
2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-4-hydroxybutanoic acid
CID 61244023
(2R)-2-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107938205
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 786712
3-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 786711
2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 43184020
2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
(2R)-2-[(3-bromo-4-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107998015
(2R)-3-hydroxy-2-[[3-(methylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 80749917
2-[(3-chlorobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 16773784

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid (CID 23793307) is (2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid is O=C(N[C@@H](CO)C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of (2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is SHNSPHLPESFZIK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10ClNO4/c11-7-3-1-2-6(4-7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid?
(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid has a molecular weight of 243.65 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 23793307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).