5-(azepane-2-carbonylamino)hexanoic acid

C13H24N2O3 — CID 82844956

IUPAC5-(azepane-2-carbonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1CCCCCN1
InChIInChI=1S/C13H24N2O3/c1-10(6-5-8-12(16)17)15-13(18)11-7-3-2-4-9-14-11/h10-11,14H,2-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyAKKIPBOLLRNQFT-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.28
Rot. Bonds6

About 5-(azepane-2-carbonylamino)hexanoic acid

5-(azepane-2-carbonylamino)hexanoic acid (PubChem CID 82844956) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(azepane-2-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name5-(azepane-2-carbonylamino)hexanoic acid
PubChem CID82844956
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name5-(azepane-2-carbonylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1CCCCCN1
InChIInChI=1S/C13H24N2O3/c1-10(6-5-8-12(16)17)15-13(18)11-7-3-2-4-9-14-11/h10-11,14H,2-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyAKKIPBOLLRNQFT-UHFFFAOYSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
(2S)-N-(4-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 104914608
N-(4-methylsulfanylbutan-2-yl)azocane-2-carboxamide
CID 114240218
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
N-(5,5-dimethylhexan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119330827
(2R)-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide
CID 103812007
N-[(1S)-1-cyclopentylethyl]azepane-2-carboxamide
CID 81390656
N-(1-methylsulfonylpropan-2-yl)azepane-2-carboxamide
CID 64643195
4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid
CID 82688811
(2R)-N-[(1R)-1-cyclopentylethyl]piperidine-2-carboxamide
CID 104914395
methyl 3-[[(2R)-piperidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119695157
methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119274282

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-2-carbonylamino)hexanoic acid?
The IUPAC name of 5-(azepane-2-carbonylamino)hexanoic acid (CID 82844956) is 5-(azepane-2-carbonylamino)hexanoic acid.
What is the SMILES notation for 5-(azepane-2-carbonylamino)hexanoic acid?
The canonical SMILES for 5-(azepane-2-carbonylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)C1CCCCCN1.
What is the InChIKey of 5-(azepane-2-carbonylamino)hexanoic acid?
The InChIKey is AKKIPBOLLRNQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(6-5-8-12(16)17)15-13(18)11-7-3-2-4-9-14-11/h10-11,14H,2-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-(azepane-2-carbonylamino)hexanoic acid?
5-(azepane-2-carbonylamino)hexanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-2-carbonylamino)hexanoic acid is sourced from PubChem (CID 82844956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).