3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid

C11H11NO4 — CID 104832805

IUPAC3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(NC(=O)C2CC2)c1O
InChIInChI=1S/C11H11NO4/c13-9-7(11(15)16)2-1-3-8(9)12-10(14)6-4-5-6/h1-3,6,13H,4-5H2,(H,12,14)(H,15,16)
InChIKeyBCTFCCYOTPHFLS-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.44
Rot. Bonds3

About 3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid

3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid (PubChem CID 104832805) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid
PubChem CID104832805
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(NC(=O)C2CC2)c1O
InChIInChI=1S/C11H11NO4/c13-9-7(11(15)16)2-1-3-8(9)12-10(14)6-4-5-6/h1-3,6,13H,4-5H2,(H,12,14)(H,15,16)
InChIKeyBCTFCCYOTPHFLS-UHFFFAOYSA-N
XLogP1.44
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-(prop-2-ynoylamino)benzoic acid
CID 104832869
2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 114039518
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
CID 113458398
N-(2-benzoylphenyl)cyclopropanecarboxamide
CID 607537
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833568
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832806
2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid
CID 159148469
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid?
The IUPAC name of 3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid (CID 104832805) is 3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid is O=C(O)c1cccc(NC(=O)C2CC2)c1O.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid?
The InChIKey is BCTFCCYOTPHFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-9-7(11(15)16)2-1-3-8(9)12-10(14)6-4-5-6/h1-3,6,13H,4-5H2,(H,12,14)(H,15,16).
What are the key properties of 3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid?
3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid has a molecular weight of 221.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 104832805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).