1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid

C11H10ClNO4 — CID 106500330

IUPAC1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1cc(O)ccc1Cl
InChIInChI=1S/C11H10ClNO4/c12-8-2-1-6(14)5-7(8)9(15)13-11(3-4-11)10(16)17/h1-2,5,14H,3-4H2,(H,13,15)(H,16,17)
InChIKeyDWAGMBFWSQTVNU-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.39
Rot. Bonds3

About 1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid

1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 106500330) has the molecular formula C11H10ClNO4 and a molecular weight of 255.66 g/mol. Its IUPAC name is 1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid
PubChem CID106500330
Molecular FormulaC11H10ClNO4
Molecular Weight255.66 g/mol
Exact Mass255.03
IUPAC Name1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1cc(O)ccc1Cl
InChIInChI=1S/C11H10ClNO4/c12-8-2-1-6(14)5-7(8)9(15)13-11(3-4-11)10(16)17/h1-2,5,14H,3-4H2,(H,13,15)(H,16,17)
InChIKeyDWAGMBFWSQTVNU-UHFFFAOYSA-N
XLogP1.39
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 106500317
1-[(5-acetamido-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 119350557
2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide
CID 106503132
4-[(2-chloro-4,5-difluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291756
1-[(2-chloro-5-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43427424
1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 81266250
1-[(5-chloro-2-iodobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 103925830
1-[(2,4-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329570
2-chloro-5-hydroxy-N-(3-methyloxolan-3-yl)benzamide
CID 106502165
2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide
CID 106503135
4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291748
4-[(5-chloro-2-fluorobenzoyl)amino]oxane-4-carboxylic acid
CID 115291662

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid (CID 106500330) is 1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)c1cc(O)ccc1Cl.
What is the InChIKey of 1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is DWAGMBFWSQTVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4/c12-8-2-1-6(14)5-7(8)9(15)13-11(3-4-11)10(16)17/h1-2,5,14H,3-4H2,(H,13,15)(H,16,17).
What are the key properties of 1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid?
1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 255.66 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106500330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).