6-(dipropylamino)-6-oxohexanoic acid

C12H23NO3 — CID 43447159

IUPAC6-(dipropylamino)-6-oxohexanoic acid
SMILESCCCN(CCC)C(=O)CCCCC(=O)O
InChIInChI=1S/C12H23NO3/c1-3-9-13(10-4-2)11(14)7-5-6-8-12(15)16/h3-10H2,1-2H3,(H,15,16)
InChIKeyQWYMIHAIXQQBLJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.28
Rot. Bonds9

About 6-(dipropylamino)-6-oxohexanoic acid

6-(dipropylamino)-6-oxohexanoic acid (PubChem CID 43447159) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-(dipropylamino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(dipropylamino)-6-oxohexanoic acid
PubChem CID43447159
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name6-(dipropylamino)-6-oxohexanoic acid
SMILESCCCN(CCC)C(=O)CCCCC(=O)O
InChIInChI=1S/C12H23NO3/c1-3-9-13(10-4-2)11(14)7-5-6-8-12(15)16/h3-10H2,1-2H3,(H,15,16)
InChIKeyQWYMIHAIXQQBLJ-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Acetylaminocaproic acid
CID 2005
6-(6-Aminohexanamido)hexanoic acid
CID 895
6-(Dimethylamino)hexanoic acid
CID 14052847
6-{[(Tert-butoxy)carbonyl](methyl)amino}hexanoic acid
CID 127261591
3-(1-Acetylpiperidin-4-yl)propanoic acid
CID 9855751
6-[(6-Aminohexyl)amino]-6-oxo-hexanoic Acid
CID 59866394
5HepNHCO valeric acid
CID 454080
6-(Heptanoylamino)hexanoic acid
CID 454088
5-Carboxy-N,N,N-trimethylpentan-1-aminium chloride
CID 70695230
5-(N-methylacetamido)pentanoic acid
CID 20298337
1-Pentanaminium, 5-carboxy-N,N,N-triethyl-, chloride
CID 10332420
5-Carboxypentyl-diethyl-methylazanium chloride
CID 70693155

Frequently Asked Questions

What is the IUPAC name of 6-(dipropylamino)-6-oxohexanoic acid?
The IUPAC name of 6-(dipropylamino)-6-oxohexanoic acid (CID 43447159) is 6-(dipropylamino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(dipropylamino)-6-oxohexanoic acid?
The canonical SMILES for 6-(dipropylamino)-6-oxohexanoic acid is CCCN(CCC)C(=O)CCCCC(=O)O.
What is the InChIKey of 6-(dipropylamino)-6-oxohexanoic acid?
The InChIKey is QWYMIHAIXQQBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-9-13(10-4-2)11(14)7-5-6-8-12(15)16/h3-10H2,1-2H3,(H,15,16).
What are the key properties of 6-(dipropylamino)-6-oxohexanoic acid?
6-(dipropylamino)-6-oxohexanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-6-oxohexanoic acid is sourced from PubChem (CID 43447159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).