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

C11H12ClNO4 — CID 112685827

IUPAC2-chloro-5-(2-methoxypropanoylamino)benzoic acid
SMILESCOC(C)C(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C11H12ClNO4/c1-6(17-2)10(14)13-7-3-4-9(12)8(5-7)11(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyVJUIGSIYUKMHPY-UHFFFAOYSA-N
MW257.67 g/mol
LogP2.01
Rot. Bonds4

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

2-chloro-5-(2-methoxypropanoylamino)benzoic acid (PubChem CID 112685827) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is 2-chloro-5-(2-methoxypropanoylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2-methoxypropanoylamino)benzoic acid
PubChem CID112685827
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name2-chloro-5-(2-methoxypropanoylamino)benzoic acid
SMILESCOC(C)C(=O)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C11H12ClNO4/c1-6(17-2)10(14)13-7-3-4-9(12)8(5-7)11(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyVJUIGSIYUKMHPY-UHFFFAOYSA-N
XLogP2.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(2-methoxypropanoylamino)benzamide
CID 47303789
2-chloro-5-(2-chloropropanoylamino)benzoic acid
CID 43701854
2-chloro-5-(2-hydroxypropanoylamino)benzoic acid
CID 83768315
2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195612
2-chloro-5-(2-ethylbutanoylamino)benzoic acid
CID 60778386
5-[2-(4-acetamidophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid
CID 19630335
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002
4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid
CID 78973494
5-[2-(azetidin-3-yl)propanoylamino]-2-chlorobenzoic acid
CID 116675875
2-chloro-4-[(3-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 119178957
N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide
CID 115875463
2-chloro-5-[2-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid
CID 23772380

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methoxypropanoylamino)benzoic acid?
The IUPAC name of 2-chloro-5-(2-methoxypropanoylamino)benzoic acid (CID 112685827) is 2-chloro-5-(2-methoxypropanoylamino)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2-methoxypropanoylamino)benzoic acid?
The canonical SMILES for 2-chloro-5-(2-methoxypropanoylamino)benzoic acid is COC(C)C(=O)Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 2-chloro-5-(2-methoxypropanoylamino)benzoic acid?
The InChIKey is VJUIGSIYUKMHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-6(17-2)10(14)13-7-3-4-9(12)8(5-7)11(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-chloro-5-(2-methoxypropanoylamino)benzoic acid?
2-chloro-5-(2-methoxypropanoylamino)benzoic acid has a molecular weight of 257.67 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methoxypropanoylamino)benzoic acid is sourced from PubChem (CID 112685827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).