1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C13H22N2O3 — CID 61201945

IUPAC1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C1CC1)N(C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H22N2O3/c1-9(10-5-6-10)15(2)12(18)14-13(11(16)17)7-3-4-8-13/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyJCRJPAKCPMYSFJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.82
Rot. Bonds4

About 1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 61201945) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID61201945
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C1CC1)N(C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H22N2O3/c1-9(10-5-6-10)15(2)12(18)14-13(11(16)17)7-3-4-8-13/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyJCRJPAKCPMYSFJ-UHFFFAOYSA-N
XLogP1.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]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

1-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202704
1-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 113426147
4-methyl-1-[[methyl(propan-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61181106
1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
CID 115282657
1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115
2-[1-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163012
1-[[butan-2-yl(methyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61196629
1-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 112662839
1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162794
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61443760
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61443714
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61202510

Frequently Asked Questions

What is the IUPAC name of 1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 61201945) is 1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CC(C1CC1)N(C)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is JCRJPAKCPMYSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(10-5-6-10)15(2)12(18)14-13(11(16)17)7-3-4-8-13/h9-10H,3-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61201945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).