4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid

C14H24N2O4 — CID 66250740

IUPAC4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)NCCC1CCCC1
InChIInChI=1S/C14H24N2O4/c1-14(12(17)18)9-20-8-11(14)16-13(19)15-7-6-10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRJDPJKFIJWKSSX-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.36
Rot. Bonds5

About 4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid

4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid (PubChem CID 66250740) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
PubChem CID66250740
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)NCCC1CCCC1
InChIInChI=1S/C14H24N2O4/c1-14(12(17)18)9-20-8-11(14)16-13(19)15-7-6-10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRJDPJKFIJWKSSX-UHFFFAOYSA-N
XLogP1.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-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-(2-aminoethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66248978
3-methyl-4-(3,3,3-trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid
CID 66249979
4-[(2-cyclopentylacetyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66256630
3-methyl-4-[(2-methylcyclohexyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66249187
3-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 79359495
4-[(2,2-dimethylcyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
CID 79871435
3-methyl-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 114469245
4-[(2-hydroxycyclohexyl)carbamoylamino]-3-methyloxolane-3-carboxylic acid
CID 66250560
3-methyl-4-(2-prop-2-enylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 114187962
3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid
CID 114174525
3-methyl-4-(2-thiophen-2-ylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66250926
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid (CID 66250740) is 4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)NCCC1CCCC1.
What is the InChIKey of 4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
The InChIKey is RJDPJKFIJWKSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(12(17)18)9-20-8-11(14)16-13(19)15-7-6-10-4-2-3-5-10/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid?
4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66250740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).