6-(cyclooctylcarbamoylamino)hexanoic acid

C15H28N2O3 — CID 61181259

IUPAC6-(cyclooctylcarbamoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)NC1CCCCCCC1
InChIInChI=1S/C15H28N2O3/c18-14(19)11-7-4-8-12-16-15(20)17-13-9-5-2-1-3-6-10-13/h13H,1-12H2,(H,18,19)(H2,16,17,20)
InChIKeyLNXNHZLDHHEONY-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.04
Rot. Bonds7

About 6-(cyclooctylcarbamoylamino)hexanoic acid

6-(cyclooctylcarbamoylamino)hexanoic acid (PubChem CID 61181259) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-(cyclooctylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(cyclooctylcarbamoylamino)hexanoic acid
PubChem CID61181259
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-(cyclooctylcarbamoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)NC1CCCCCCC1
InChIInChI=1S/C15H28N2O3/c18-14(19)11-7-4-8-12-16-15(20)17-13-9-5-2-1-3-6-10-13/h13H,1-12H2,(H,18,19)(H2,16,17,20)
InChIKeyLNXNHZLDHHEONY-UHFFFAOYSA-N
XLogP3.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid
CID 148925401
7-[(1-methylpiperidin-3-yl)carbamoylamino]heptanoic acid
CID 61223092
7-(cyclohexylmethylcarbamoylamino)heptanoic acid
CID 61197262
6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid
CID 43447271
1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
(2S)-1-[6-(cyclohexylcarbamoylamino)hexanoyl]pyrrolidine-2-carboxylic acid
CID 119365421
5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732933
4-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361595
6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 54950039
6-[(2-ethylcyclohexyl)carbamoylamino]hexanoic acid
CID 61468058
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
5-[(3,4-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64744106

Frequently Asked Questions

What is the IUPAC name of 6-(cyclooctylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-(cyclooctylcarbamoylamino)hexanoic acid (CID 61181259) is 6-(cyclooctylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-(cyclooctylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-(cyclooctylcarbamoylamino)hexanoic acid is O=C(O)CCCCCNC(=O)NC1CCCCCCC1.
What is the InChIKey of 6-(cyclooctylcarbamoylamino)hexanoic acid?
The InChIKey is LNXNHZLDHHEONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c18-14(19)11-7-4-8-12-16-15(20)17-13-9-5-2-1-3-6-10-13/h13H,1-12H2,(H,18,19)(H2,16,17,20).
What are the key properties of 6-(cyclooctylcarbamoylamino)hexanoic acid?
6-(cyclooctylcarbamoylamino)hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclooctylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 61181259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).