1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid

C14H24N2O3 — CID 16791650

IUPAC1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)NC2CCCC2)(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-10-6-8-14(9-7-10,12(17)18)16-13(19)15-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNPCTYLYXIDPFMK-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.26
Rot. Bonds3

About 1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid

1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid (PubChem CID 16791650) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
PubChem CID16791650
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)NC2CCCC2)(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-10-6-8-14(9-7-10,12(17)18)16-13(19)15-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyNPCTYLYXIDPFMK-UHFFFAOYSA-N
XLogP2.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61181425
1-[(1,1-dioxothiolan-3-yl)carbamoylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61180971
1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114548885
1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43341471
1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 82237604
1-(3-ethylpentan-3-ylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 65042943
1-[[(E)-but-2-enoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 43163116
1-(1-cyano-4-methylcyclohexyl)-3-cyclobutylurea
CID 116658255
1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61292847
1-cyclopentyl-3-(1-methylcyclopropyl)urea
CID 115635212
1-[(1-methylpiperidin-3-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61223429
4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61403150

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid (CID 16791650) is 1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid is CC1CCC(NC(=O)NC2CCCC2)(C(=O)O)CC1.
What is the InChIKey of 1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is NPCTYLYXIDPFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-6-8-14(9-7-10,12(17)18)16-13(19)15-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid?
1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 16791650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).