4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid

C14H24N2O4 — CID 106914945

IUPAC4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(C)CCC(=O)NC)C1
InChIInChI=1S/C14H24N2O4/c1-4-9-7-10(11(8-9)14(19)20)13(18)16(3)6-5-12(17)15-2/h9-11H,4-8H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyVNJBISLBRCCHRE-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.72
Rot. Bonds6

About 4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 106914945) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID106914945
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(C)CCC(=O)NC)C1
InChIInChI=1S/C14H24N2O4/c1-4-9-7-10(11(8-9)14(19)20)13(18)16(3)6-5-12(17)15-2/h9-11H,4-8H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyVNJBISLBRCCHRE-UHFFFAOYSA-N
XLogP0.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-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

4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511275
cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091827
2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511610
2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511258
4-methyl-2-[methyl-[3-(methylamino)propyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114391195
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide
CID 106915220
2-(aminomethyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]cyclopentane-1-carboxamide
CID 103822190
2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511437
2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 102860789
4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511568
4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511706
2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511694

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 106914945) is 4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)N(C)CCC(=O)NC)C1.
What is the InChIKey of 4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is VNJBISLBRCCHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-4-9-7-10(11(8-9)14(19)20)13(18)16(3)6-5-12(17)15-2/h9-11H,4-8H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106914945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).