2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid

C14H26N2O4 — CID 64915037

IUPAC2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid
SMILESCCC1CCC(NC(=O)NC(CCOC)C(=O)O)C1C
InChIInChI=1S/C14H26N2O4/c1-4-10-5-6-11(9(10)2)15-14(19)16-12(13(17)18)7-8-20-3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyHFFIXYYVUMXGNP-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.60
Rot. Bonds7

About 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid

2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid (PubChem CID 64915037) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid
PubChem CID64915037
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid
SMILESCCC1CCC(NC(=O)NC(CCOC)C(=O)O)C1C
InChIInChI=1S/C14H26N2O4/c1-4-10-5-6-11(9(10)2)15-14(19)16-12(13(17)18)7-8-20-3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyHFFIXYYVUMXGNP-UHFFFAOYSA-N
XLogP1.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic 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

2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid
CID 81081091
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid
CID 62478843
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid
CID 64916428
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylbutanoic acid
CID 64914032
4-methoxy-2-[(2-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 62472524
2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084056
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 114118208
4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244716
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64915825
N-(3-ethyl-2-methylcyclopentyl)-2-propoxyacetamide
CID 107941727
propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate
CID 116656380

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid (CID 64915037) is 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid is CCC1CCC(NC(=O)NC(CCOC)C(=O)O)C1C.
What is the InChIKey of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid?
The InChIKey is HFFIXYYVUMXGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-10-5-6-11(9(10)2)15-14(19)16-12(13(17)18)7-8-20-3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid?
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid is sourced from PubChem (CID 64915037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).