2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid

C11H12ClNO5 — CID 81076526

IUPAC2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)c1ccc(Cl)cc1O)C(=O)O
InChIInChI=1S/C11H12ClNO5/c1-18-5-8(11(16)17)13-10(15)7-3-2-6(12)4-9(7)14/h2-4,8,14H,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyFDQTYEAEMIDHRZ-UHFFFAOYSA-N
MW273.67 g/mol
LogP0.88
Rot. Bonds5

About 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid

2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid (PubChem CID 81076526) has the molecular formula C11H12ClNO5 and a molecular weight of 273.67 g/mol. Its IUPAC name is 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid
PubChem CID81076526
Molecular FormulaC11H12ClNO5
Molecular Weight273.67 g/mol
Exact Mass273.04
IUPAC Name2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)c1ccc(Cl)cc1O)C(=O)O
InChIInChI=1S/C11H12ClNO5/c1-18-5-8(11(16)17)13-10(15)7-3-2-6(12)4-9(7)14/h2-4,8,14H,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyFDQTYEAEMIDHRZ-UHFFFAOYSA-N
XLogP0.88
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate
CID 43405857
2-[[2-(4-chlorophenyl)acetyl]amino]-3-methoxypropanoic acid
CID 81077193
2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid
CID 107731415
6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 65285765
4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085345
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820519
2-[(2,4-dichlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780716
2-[(4-chloro-2-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 43100089
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185166

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid (CID 81076526) is 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid is COCC(NC(=O)c1ccc(Cl)cc1O)C(=O)O.
What is the InChIKey of 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid?
The InChIKey is FDQTYEAEMIDHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO5/c1-18-5-8(11(16)17)13-10(15)7-3-2-6(12)4-9(7)14/h2-4,8,14H,5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid?
2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid has a molecular weight of 273.67 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81076526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).