2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid

C16H23NO2 — CID 65080241

IUPAC2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid
SMILESCC1CCCC(NC(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-12-6-5-9-14(11-10-12)17-15(16(18)19)13-7-3-2-4-8-13/h2-4,7-8,12,14-15,17H,5-6,9-11H2,1H3,(H,18,19)
InChIKeyLKGPCKHKAVTWKC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.37
Rot. Bonds4

About 2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid

2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid (PubChem CID 65080241) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid
PubChem CID65080241
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid
SMILESCC1CCCC(NC(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-12-6-5-9-14(11-10-12)17-15(16(18)19)13-7-3-2-4-8-13/h2-4,7-8,12,14-15,17H,5-6,9-11H2,1H3,(H,18,19)
InChIKeyLKGPCKHKAVTWKC-UHFFFAOYSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-methylcycloheptyl)amino]-2-phenylacetic 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

methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
2-[(1-ethylpiperidin-4-yl)amino]-2-phenylacetic acid
CID 62110488
N-benzhydryl-4-methylcyclohexan-1-amine
CID 43079012
2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
CID 55036450
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
(2R)-2-(cyclopentylamino)-2-pyridin-3-ylacetic acid
CID 93412375
(2R)-2-(cyclopropylamino)-2-pyridin-3-ylacetic acid
CID 93280695
2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880
2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
CID 43754566
2-[(2,6-dimethylpiperidin-1-yl)amino]-2-phenylacetic acid
CID 103261095
2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid
CID 103255305

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid (CID 65080241) is 2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid is CC1CCCC(NC(C(=O)O)c2ccccc2)CC1.
What is the InChIKey of 2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid?
The InChIKey is LKGPCKHKAVTWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-6-5-9-14(11-10-12)17-15(16(18)19)13-7-3-2-4-8-13/h2-4,7-8,12,14-15,17H,5-6,9-11H2,1H3,(H,18,19).
What are the key properties of 2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid?
2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 65080241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).