4-(azepan-1-yl)butanoic acid

C10H19NO2 — CID 6496942

IUPAC4-(azepan-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCCCCC1
InChIInChI=1S/C10H19NO2/c12-10(13)6-5-9-11-7-3-1-2-4-8-11/h1-9H2,(H,12,13)
InChIKeyGFGARPFCEPBBDN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.73
Rot. Bonds4

About 4-(azepan-1-yl)butanoic acid

4-(azepan-1-yl)butanoic acid (PubChem CID 6496942) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(azepan-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(azepan-1-yl)butanoic acid
PubChem CID6496942
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(azepan-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCCCCC1
InChIInChI=1S/C10H19NO2/c12-10(13)6-5-9-11-7-3-1-2-4-8-11/h1-9H2,(H,12,13)
InChIKeyGFGARPFCEPBBDN-UHFFFAOYSA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)butanoic acid?
The IUPAC name of 4-(azepan-1-yl)butanoic acid (CID 6496942) is 4-(azepan-1-yl)butanoic acid.
What is the SMILES notation for 4-(azepan-1-yl)butanoic acid?
The canonical SMILES for 4-(azepan-1-yl)butanoic acid is O=C(O)CCCN1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)butanoic acid?
The InChIKey is GFGARPFCEPBBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-10(13)6-5-9-11-7-3-1-2-4-8-11/h1-9H2,(H,12,13).
What are the key properties of 4-(azepan-1-yl)butanoic acid?
4-(azepan-1-yl)butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)butanoic acid is sourced from PubChem (CID 6496942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).