3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid

C13H14ClNO4 — CID 60845225

IUPAC3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccc(Cl)cc1O)C1CC1
InChIInChI=1S/C13H14ClNO4/c14-8-1-4-10(11(16)7-8)13(19)15(9-2-3-9)6-5-12(17)18/h1,4,7,9,16H,2-3,5-6H2,(H,17,18)
InChIKeyZONRCEIYGGZRKK-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.12
Rot. Bonds5

About 3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid

3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid (PubChem CID 60845225) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid
PubChem CID60845225
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccc(Cl)cc1O)C1CC1
InChIInChI=1S/C13H14ClNO4/c14-8-1-4-10(11(16)7-8)13(19)15(9-2-3-9)6-5-12(17)18/h1,4,7,9,16H,2-3,5-6H2,(H,17,18)
InChIKeyZONRCEIYGGZRKK-UHFFFAOYSA-N
XLogP2.12
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 82880452
4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide
CID 63391333
4-chloro-N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994214
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 80658498
3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674735
5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
CID 55187434
3-[(4-bromo-2-chlorobenzoyl)-cyclopropylamino]propanoic acid
CID 60845778
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
3-[(4-bromo-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 60845609
N-(3-amino-3-sulfanylidenepropyl)-2-bromo-4-chloro-N-cyclopropylbenzamide
CID 107987768
2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43575514
3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 54926497

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid (CID 60845225) is 3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid is O=C(O)CCN(C(=O)c1ccc(Cl)cc1O)C1CC1.
What is the InChIKey of 3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid?
The InChIKey is ZONRCEIYGGZRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c14-8-1-4-10(11(16)7-8)13(19)15(9-2-3-9)6-5-12(17)18/h1,4,7,9,16H,2-3,5-6H2,(H,17,18).
What are the key properties of 3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid?
3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid has a molecular weight of 283.71 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid is sourced from PubChem (CID 60845225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).