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

C13H16N2O4 — CID 115450797

IUPAC1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)NCC2(C(=O)O)CC2)c1
InChIInChI=1S/C13H16N2O4/c1-19-8-2-3-10(14)9(6-8)11(16)15-7-13(4-5-13)12(17)18/h2-3,6H,4-5,7,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyFNXLCQKNJHHZON-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.87
Rot. Bonds5

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

1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450797) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450797
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)NCC2(C(=O)O)CC2)c1
InChIInChI=1S/C13H16N2O4/c1-19-8-2-3-10(14)9(6-8)11(16)15-7-13(4-5-13)12(17)18/h2-3,6H,4-5,7,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyFNXLCQKNJHHZON-UHFFFAOYSA-N
XLogP0.87
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.87
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

2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 115413408
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
1-[(2-amino-5-methoxyanilino)methyl]cyclohexane-1-carboxylic acid
CID 88995988
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
CID 115405286
2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide
CID 106284093
1-[[(4-chloro-2-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449594
2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
CID 64927216
2-amino-N-(2-cyanoethyl)-5-methoxybenzamide
CID 115412506
1-[[(2-chloro-5-methoxyphenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451488

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115450797) is 1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid is COc1ccc(N)c(C(=O)NCC2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is FNXLCQKNJHHZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-8-2-3-10(14)9(6-8)11(16)15-7-13(4-5-13)12(17)18/h2-3,6H,4-5,7,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.87, 5 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]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).