2-chloro-5-(2-hydroxypropanoylamino)benzoic acid

C10H10ClNO4 — CID 83768315

IUPAC2-chloro-5-(2-hydroxypropanoylamino)benzoic acid
SMILESCC(O)C(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C10H10ClNO4/c1-5(13)9(14)12-6-2-3-8(11)7(4-6)10(15)16/h2-5,13H,1H3,(H,12,14)(H,15,16)
InChIKeyKYQZOTLGTKRYPZ-UHFFFAOYSA-N
MW243.65 g/mol
LogP1.36
Rot. Bonds3

About 2-chloro-5-(2-hydroxypropanoylamino)benzoic acid

2-chloro-5-(2-hydroxypropanoylamino)benzoic acid (PubChem CID 83768315) has the molecular formula C10H10ClNO4 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-chloro-5-(2-hydroxypropanoylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2-hydroxypropanoylamino)benzoic acid
PubChem CID83768315
Molecular FormulaC10H10ClNO4
Molecular Weight243.65 g/mol
Exact Mass243.03
IUPAC Name2-chloro-5-(2-hydroxypropanoylamino)benzoic acid
SMILESCC(O)C(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C10H10ClNO4/c1-5(13)9(14)12-6-2-3-8(11)7(4-6)10(15)16/h2-5,13H,1H3,(H,12,14)(H,15,16)
InChIKeyKYQZOTLGTKRYPZ-UHFFFAOYSA-N
XLogP1.36
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(2-chloropropanoylamino)benzoic acid
CID 43701854
2-chloro-5-(2-methoxypropanoylamino)benzoic acid
CID 112685827
2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195612
2-chloro-5-(2-ethylbutanoylamino)benzoic acid
CID 60778386
4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid
CID 78973494
5-[2-(azetidin-3-yl)propanoylamino]-2-chlorobenzoic acid
CID 116675875
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
2-chloro-5-[2-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid
CID 23772380
5-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid
CID 19630335
2-chloro-5-[3-(propan-2-ylamino)propanoylamino]benzoic acid
CID 60854719
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
5-[2-(3-aminophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid
CID 18894218

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-hydroxypropanoylamino)benzoic acid?
The IUPAC name of 2-chloro-5-(2-hydroxypropanoylamino)benzoic acid (CID 83768315) is 2-chloro-5-(2-hydroxypropanoylamino)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2-hydroxypropanoylamino)benzoic acid?
The canonical SMILES for 2-chloro-5-(2-hydroxypropanoylamino)benzoic acid is CC(O)C(=O)Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-(2-hydroxypropanoylamino)benzoic acid?
The InChIKey is KYQZOTLGTKRYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4/c1-5(13)9(14)12-6-2-3-8(11)7(4-6)10(15)16/h2-5,13H,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-chloro-5-(2-hydroxypropanoylamino)benzoic acid?
2-chloro-5-(2-hydroxypropanoylamino)benzoic acid has a molecular weight of 243.65 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-hydroxypropanoylamino)benzoic acid is sourced from PubChem (CID 83768315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).