1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid

C14H24N2O3 — CID 61198115

IUPAC1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCCCCC1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-10(11-6-7-11)15-13(19)16-14(12(17)18)8-4-2-3-5-9-14/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeySUHZVXWZMYNJTK-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.26
Rot. Bonds4

About 1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid

1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid (PubChem CID 61198115) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
PubChem CID61198115
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCCCCC1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-10(11-6-7-11)15-13(19)16-14(12(17)18)8-4-2-3-5-9-14/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeySUHZVXWZMYNJTK-UHFFFAOYSA-N
XLogP2.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(1-cyclopropylethylcarbamoylamino)cycloheptane-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-[1-(oxolan-3-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 113364085
3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64892875
2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64700065
1-(2-cyclopropylpropanoylamino)cyclohexane-1-carboxylic acid
CID 115282657
1-(but-3-yn-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 114418397
2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700515
1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186660
1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63842552
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61498908
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852
1-[[1-cyclopropylethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61201945
1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61181425

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid (CID 61198115) is 1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid is CC(NC(=O)NC1(C(=O)O)CCCCCC1)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid?
The InChIKey is SUHZVXWZMYNJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(11-6-7-11)15-13(19)16-14(12(17)18)8-4-2-3-5-9-14/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid?
1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 61198115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).