1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid

C17H29NO3 — CID 43529605

IUPAC1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC1CCCCC1NC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C17H29NO3/c1-13-8-4-5-9-14(13)18-15(19)12-17(16(20)21)10-6-2-3-7-11-17/h13-14H,2-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyDVPTUNBPTWGMTB-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.50
Rot. Bonds4

About 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid

1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 43529605) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID43529605
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC1CCCCC1NC(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C17H29NO3/c1-13-8-4-5-9-14(13)18-15(19)12-17(16(20)21)10-6-2-3-7-11-17/h13-14H,2-12H2,1H3,(H,18,19)(H,20,21)
InChIKeyDVPTUNBPTWGMTB-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-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-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63278195
1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 62086582
1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79856385
1-[2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 79358096
1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114543563
1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60953891
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
1-[2-[(4-ethylcyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61467269
1-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 55062097
N-(2-methylcyclohexyl)butanamide
CID 47005567
1-[2-oxo-2-(propan-2-ylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529300
1-hydroxy-N-(2-methylcyclohexyl)cyclopentane-1-carboxamide
CID 71970125

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 43529605) is 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid is CC1CCCCC1NC(=O)CC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is DVPTUNBPTWGMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13-8-4-5-9-14(13)18-15(19)12-17(16(20)21)10-6-2-3-7-11-17/h13-14H,2-12H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43529605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).