6-(hexylamino)-6-oxohexanoic acid

C12H23NO3 — CID 22448385

IUPAC6-(hexylamino)-6-oxohexanoic acid
SMILESCCCCCCNC(=O)CCCCC(=O)O
InChIInChI=1S/C12H23NO3/c1-2-3-4-7-10-13-11(14)8-5-6-9-12(15)16/h2-10H2,1H3,(H,13,14)(H,15,16)
InChIKeyBOSCUDSUNYANRD-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.33
Rot. Bonds10

About 6-(hexylamino)-6-oxohexanoic acid

6-(hexylamino)-6-oxohexanoic acid (PubChem CID 22448385) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-(hexylamino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(hexylamino)-6-oxohexanoic acid
PubChem CID22448385
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name6-(hexylamino)-6-oxohexanoic acid
SMILESCCCCCCNC(=O)CCCCC(=O)O
InChIInChI=1S/C12H23NO3/c1-2-3-4-7-10-13-11(14)8-5-6-9-12(15)16/h2-10H2,1H3,(H,13,14)(H,15,16)
InChIKeyBOSCUDSUNYANRD-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-(dodecanoylamino)undecanoic acid
CID 4163254
4-(tridecanoylamino)butanoic acid
CID 164851630
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of 6-(hexylamino)-6-oxohexanoic acid?
The IUPAC name of 6-(hexylamino)-6-oxohexanoic acid (CID 22448385) is 6-(hexylamino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(hexylamino)-6-oxohexanoic acid?
The canonical SMILES for 6-(hexylamino)-6-oxohexanoic acid is CCCCCCNC(=O)CCCCC(=O)O.
What is the InChIKey of 6-(hexylamino)-6-oxohexanoic acid?
The InChIKey is BOSCUDSUNYANRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-3-4-7-10-13-11(14)8-5-6-9-12(15)16/h2-10H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 6-(hexylamino)-6-oxohexanoic acid?
6-(hexylamino)-6-oxohexanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hexylamino)-6-oxohexanoic acid is sourced from PubChem (CID 22448385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).