3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 63043004

IUPAC3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCCC1)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c18-14(19)11-6-5-9-13(10-11)17-15(20)16-12-7-3-1-2-4-8-12/h11-13H,1-10H2,(H,18,19)(H2,16,17,20)
InChIKeySTECWCYUWAZOBT-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.65
Rot. Bonds3

About 3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid

3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 63043004) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID63043004
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCCC1)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c18-14(19)11-6-5-9-13(10-11)17-15(20)16-12-7-3-1-2-4-8-12/h11-13H,1-10H2,(H,18,19)(H2,16,17,20)
InChIKeySTECWCYUWAZOBT-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-cyclohexylurea
CID 17217147
3-[(2,4-dimethylcyclohexyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63999198
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
3-(prop-2-ynoylamino)cyclohexane-1-carboxylic acid
CID 63042024
3-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 65066192
3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 80720615
3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64914232
cis-(1S,3R)-3-(prop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 95362904
3-(3-methylpentan-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106330490
3-(oxan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044466
3-(3,3,3-trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55175732

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 63043004) is 3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NC1CCCCCC1)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is STECWCYUWAZOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(19)11-6-5-9-13(10-11)17-15(20)16-12-7-3-1-2-4-8-12/h11-13H,1-10H2,(H,18,19)(H2,16,17,20).
What are the key properties of 3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid?
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).