1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid

C15H20N2O3 — CID 115433600

IUPAC1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESNc1cccc(CC(=O)NCC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C15H20N2O3/c16-12-5-3-4-11(8-12)9-13(18)17-10-15(14(19)20)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10,16H2,(H,17,18)(H,19,20)
InChIKeySXPQBQHBPKHMKO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.57
Rot. Bonds5

About 1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433600) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433600
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESNc1cccc(CC(=O)NCC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C15H20N2O3/c16-12-5-3-4-11(8-12)9-13(18)17-10-15(14(19)20)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10,16H2,(H,17,18)(H,19,20)
InChIKeySXPQBQHBPKHMKO-UHFFFAOYSA-N
XLogP1.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 103965193
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471
1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435809
1-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107339432
1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432866
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362285
1-[[[2-(3,4-difluorophenyl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445278
2-(3-aminophenyl)-N-(1-methylcyclopentyl)acetamide
CID 55083856
4-[[[2-(3-fluorophenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 115438203
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107162880
1-[[3-(3-bromophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544919
1-[[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544014

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 115433600) is 1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid is Nc1cccc(CC(=O)NCC2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is SXPQBQHBPKHMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-12-5-3-4-11(8-12)9-13(18)17-10-15(14(19)20)6-1-2-7-15/h3-5,8H,1-2,6-7,9-10,16H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).