6-(aziridin-1-yl)hexanoic acid

C8H15NO2 — CID 141385441

IUPAC6-(aziridin-1-yl)hexanoic acid
SMILESO=C(O)CCCCCN1CC1
InChIInChI=1S/C8H15NO2/c10-8(11)4-2-1-3-5-9-6-7-9/h1-7H2,(H,10,11)
InChIKeyOVSGEZXFXITRDU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.95
Rot. Bonds6

About 6-(aziridin-1-yl)hexanoic acid

6-(aziridin-1-yl)hexanoic acid (PubChem CID 141385441) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 6-(aziridin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(aziridin-1-yl)hexanoic acid
PubChem CID141385441
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name6-(aziridin-1-yl)hexanoic acid
SMILESO=C(O)CCCCCN1CC1
InChIInChI=1S/C8H15NO2/c10-8(11)4-2-1-3-5-9-6-7-9/h1-7H2,(H,10,11)
InChIKeyOVSGEZXFXITRDU-UHFFFAOYSA-N
XLogP0.95
TPSA40.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
6-piperazin-1-ylhexanoic acid
CID 54010280
4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 22683899
11-(1,1-dioxo-1,4-thiazinan-4-yl)undecanoic acid
CID 12524103
4-[4-(4-aminobutyl)piperazin-1-yl]butanoic acid
CID 59708799
4-(4-acetylpiperazin-1-yl)butanoic acid
CID 20992242
tridecanedioic acid;undecanedioic acid
CID 158333715
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
heptadecanedioic acid
CID 3083765

Frequently Asked Questions

What is the IUPAC name of 6-(aziridin-1-yl)hexanoic acid?
The IUPAC name of 6-(aziridin-1-yl)hexanoic acid (CID 141385441) is 6-(aziridin-1-yl)hexanoic acid.
What is the SMILES notation for 6-(aziridin-1-yl)hexanoic acid?
The canonical SMILES for 6-(aziridin-1-yl)hexanoic acid is O=C(O)CCCCCN1CC1.
What is the InChIKey of 6-(aziridin-1-yl)hexanoic acid?
The InChIKey is OVSGEZXFXITRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c10-8(11)4-2-1-3-5-9-6-7-9/h1-7H2,(H,10,11).
What are the key properties of 6-(aziridin-1-yl)hexanoic acid?
6-(aziridin-1-yl)hexanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aziridin-1-yl)hexanoic acid is sourced from PubChem (CID 141385441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).