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

C12H14N2O4 — CID 115413408

IUPAC1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)NC2(C(=O)O)CC2)c1
InChIInChI=1S/C12H14N2O4/c1-18-7-2-3-9(13)8(6-7)10(15)14-12(4-5-12)11(16)17/h2-3,6H,4-5,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyZEPZHLLIZJOVBP-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.62
Rot. Bonds4

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

1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 115413408) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid
PubChem CID115413408
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)NC2(C(=O)O)CC2)c1
InChIInChI=1S/C12H14N2O4/c1-18-7-2-3-9(13)8(6-7)10(15)14-12(4-5-12)11(16)17/h2-3,6H,4-5,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyZEPZHLLIZJOVBP-UHFFFAOYSA-N
XLogP0.62
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450797
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
1-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61158524
methyl 2-amino-5-methoxybenzoate
CID 13052275
3-[(2-hydroxy-5-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 64889956
2-amino-5-methoxy-N',N'-dimethylbenzohydrazide
CID 83012633
2-bromo-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 115634288
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
2-amino-N-(3-hydroxy-4-methoxyphenyl)-5-methoxybenzamide
CID 115412684
1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 115413219

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid (CID 115413408) is 1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid is COc1ccc(N)c(C(=O)NC2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is ZEPZHLLIZJOVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-7-2-3-9(13)8(6-7)10(15)14-12(4-5-12)11(16)17/h2-3,6H,4-5,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid?
1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115413408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).