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

C15H20N2O4 — CID 115413435

IUPAC2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)NCC2CCCC2C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-21-10-5-6-13(16)12(7-10)14(18)17-8-9-3-2-4-11(9)15(19)20/h5-7,9,11H,2-4,8,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyFGCKCANJABLJCM-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.51
Rot. Bonds5

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

2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115413435) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115413435
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)NCC2CCCC2C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-21-10-5-6-13(16)12(7-10)14(18)17-8-9-3-2-4-11(9)15(19)20/h5-7,9,11H,2-4,8,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyFGCKCANJABLJCM-UHFFFAOYSA-N
XLogP1.51
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.51
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-[(2-amino-5-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115413375
2-amino-5-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107410964
2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115413436
2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115413437
2-amino-N-[(3-hydroxycyclopentyl)methyl]-5-methoxybenzamide
CID 106118755
trans-(1S,2R)-2-[[(4,5-dimethoxy-2-nitrobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732295
trans-(1S,2R)-2-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108755809
2-[[(3-methoxypyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 105063230
N-[(2-bromocyclopentyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 114313727
N-[[2-(chloromethyl)cyclopentyl]methyl]-2,5-dimethoxybenzamide
CID 114306706
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765
2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-5-methoxybenzamide
CID 64911532

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 115413435) is 2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid is COc1ccc(N)c(C(=O)NCC2CCCC2C(=O)O)c1.
What is the InChIKey of 2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is FGCKCANJABLJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-10-5-6-13(16)12(7-10)14(18)17-8-9-3-2-4-11(9)15(19)20/h5-7,9,11H,2-4,8,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115413435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).