2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid

C11H13NO4 — CID 105480283

IUPAC2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(C2(N)CC2)cc1O
InChIInChI=1S/C11H13NO4/c1-16-9-4-6(10(14)15)7(5-8(9)13)11(12)2-3-11/h4-5,13H,2-3,12H2,1H3,(H,14,15)
InChIKeyXXJGUKLQQKCGJX-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.05
Rot. Bonds3

About 2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid

2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid (PubChem CID 105480283) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid
PubChem CID105480283
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(C2(N)CC2)cc1O
InChIInChI=1S/C11H13NO4/c1-16-9-4-6(10(14)15)7(5-8(9)13)11(12)2-3-11/h4-5,13H,2-3,12H2,1H3,(H,14,15)
InChIKeyXXJGUKLQQKCGJX-UHFFFAOYSA-N
XLogP1.05
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-aminocyclopentyl)-4-fluoro-2-methoxyphenol
CID 117323526
1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117348579
methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate
CID 117417003
5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol
CID 117342981
5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid
CID 117416999
2-amino-4,5-dihydroxybenzoic acid;2-amino-4,5-dimethoxybenzoic acid
CID 159164706
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208023
2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
CID 84783043
1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 105425975
4-(1-aminocyclopropyl)-3-methoxyphenol
CID 84732182
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532
6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
CID 117296164

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid?
The IUPAC name of 2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid (CID 105480283) is 2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid.
What is the SMILES notation for 2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid?
The canonical SMILES for 2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid is COc1cc(C(=O)O)c(C2(N)CC2)cc1O.
What is the InChIKey of 2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid?
The InChIKey is XXJGUKLQQKCGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-16-9-4-6(10(14)15)7(5-8(9)13)11(12)2-3-11/h4-5,13H,2-3,12H2,1H3,(H,14,15).
What are the key properties of 2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid?
2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid has a molecular weight of 223.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid is sourced from PubChem (CID 105480283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).