2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid

C16H28N2O3 — CID 107419876

IUPAC2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
SMILESCC1CCCC1CNC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-11-6-5-9-13(11)10-17-16(21)18-14(15(19)20)12-7-3-2-4-8-12/h11-14H,2-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyLTKQGZBWBKXDIQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.76
Rot. Bonds5

About 2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid

2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid (PubChem CID 107419876) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
PubChem CID107419876
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
SMILESCC1CCCC1CNC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-11-6-5-9-13(11)10-17-16(21)18-14(15(19)20)12-7-3-2-4-8-12/h11-14H,2-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyLTKQGZBWBKXDIQ-UHFFFAOYSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic 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

3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 55011890
2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107419812
3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 82002968
(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107419825
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid
CID 61199133
2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid
CID 103997560
2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
CID 113364251
2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid
CID 55108414
2-cyclohexyl-2-[3-(methylamino)propylcarbamoylamino]acetic acid
CID 61404684
3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419896
3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107419034

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid (CID 107419876) is 2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid is CC1CCCC1CNC(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid?
The InChIKey is LTKQGZBWBKXDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-6-5-9-13(11)10-17-16(21)18-14(15(19)20)12-7-3-2-4-8-12/h11-14H,2-10H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid?
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 107419876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).