1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid

C15H26N2O3 — CID 61181425

IUPAC1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCCCCC1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H26N2O3/c18-13(19)15(10-6-7-11-15)17-14(20)16-12-8-4-2-1-3-5-9-12/h12H,1-11H2,(H,18,19)(H2,16,17,20)
InChIKeyGSIGQWYRUZLACB-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.80
Rot. Bonds3

About 1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid

1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 61181425) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID61181425
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCCCCC1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C15H26N2O3/c18-13(19)15(10-6-7-11-15)17-14(20)16-12-8-4-2-1-3-5-9-12/h12H,1-11H2,(H,18,19)(H2,16,17,20)
InChIKeyGSIGQWYRUZLACB-UHFFFAOYSA-N
XLogP2.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 16791650
1-[(1-methylpiperidin-3-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61223429
1-(1-carbamothioylcyclooctyl)-3-cyclohexylurea
CID 61122181
1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114548885
1-cyclopentyl-3-(1-methylcyclohexyl)urea
CID 115631040
1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61292847
1-[(2,2-dimethylcyclohexyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 79878705
1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81157459
1-(1-cyanocyclooctyl)-3-cyclohexylurea
CID 61124742
1-cyclopentyl-3-(1-methylcyclopropyl)urea
CID 115635212
1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 81356177
1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82728325

Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 61181425) is 1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid is O=C(NC1CCCCCCC1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is GSIGQWYRUZLACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-13(19)15(10-6-7-11-15)17-14(20)16-12-8-4-2-1-3-5-9-12/h12H,1-11H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61181425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).