2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid

C15H20N2O4 — CID 107207923

IUPAC2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
SMILESCOc1cc(N)ccc1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C15H20N2O4/c1-21-12-7-10(16)3-4-11(12)14(20)17-9-15(5-2-6-15)8-13(18)19/h3-4,7H,2,5-6,8-9,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyLKDVICIUGARKSW-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.65
Rot. Bonds6

About 2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 107207923) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID107207923
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
SMILESCOc1cc(N)ccc1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C15H20N2O4/c1-21-12-7-10(16)3-4-11(12)14(20)17-9-15(5-2-6-15)8-13(18)19/h3-4,7H,2,5-6,8-9,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyLKDVICIUGARKSW-UHFFFAOYSA-N
XLogP1.65
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.65
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-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165285
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326
5-amino-2-methoxy-N-[(1-methylcyclopentyl)methyl]benzamide
CID 55262165
4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
CID 107207734
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 103965180
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
CID 114755608
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171
2-[1-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165406
2-[1-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81164962
2-[1-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107013745
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid (CID 107207923) is 2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid is COc1cc(N)ccc1C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is LKDVICIUGARKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-12-7-10(16)3-4-11(12)14(20)17-9-15(5-2-6-15)8-13(18)19/h3-4,7H,2,5-6,8-9,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 107207923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).