1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid

C14H19NO2 — CID 65045391

IUPAC1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid
SMILESCC1CCCC1(NCc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO2/c1-11-6-5-9-14(11,13(16)17)15-10-12-7-3-2-4-8-12/h2-4,7-8,11,15H,5-6,9-10H2,1H3,(H,16,17)
InChIKeyCNKCHYQACQUTQC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.42
Rot. Bonds4

About 1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid

1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid (PubChem CID 65045391) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid
PubChem CID65045391
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid
SMILESCC1CCCC1(NCc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO2/c1-11-6-5-9-14(11,13(16)17)15-10-12-7-3-2-4-8-12/h2-4,7-8,11,15H,5-6,9-10H2,1H3,(H,16,17)
InChIKeyCNKCHYQACQUTQC-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzylamino)-2-methylcyclopentane-1-carboxamide
CID 65045227
2-methyl-1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid
CID 114990010
1-(benzylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 16788652
1-(benzylamino)cyclobutane-1,2-dicarboxylic acid
CID 18971293
1-(furan-2-ylmethylamino)-2-methylcyclohexane-1-carboxylic acid
CID 114990376
trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid
CID 89498617
1-(aminomethyl)-N-benzyl-2-methylcyclopentan-1-amine
CID 65384422
4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid
CID 114509068
1-(benzylamino)-4-methylcycloheptane-1-carboxamide
CID 65084787
1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294678
2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid
CID 83693626
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid (CID 65045391) is 1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid is CC1CCCC1(NCc1ccccc1)C(=O)O.
What is the InChIKey of 1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid?
The InChIKey is CNKCHYQACQUTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-6-5-9-14(11,13(16)17)15-10-12-7-3-2-4-8-12/h2-4,7-8,11,15H,5-6,9-10H2,1H3,(H,16,17).
What are the key properties of 1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid?
1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 65045391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).