3-(dipentylamino)-3-oxopropanoic acid

C13H25NO3 — CID 55049301

IUPAC3-(dipentylamino)-3-oxopropanoic acid
SMILESCCCCCN(CCCCC)C(=O)CC(=O)O
InChIInChI=1S/C13H25NO3/c1-3-5-7-9-14(10-8-6-4-2)12(15)11-13(16)17/h3-11H2,1-2H3,(H,16,17)
InChIKeyWDFKSYNQKDWTQV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.67
Rot. Bonds10

About 3-(dipentylamino)-3-oxopropanoic acid

3-(dipentylamino)-3-oxopropanoic acid (PubChem CID 55049301) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(dipentylamino)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(dipentylamino)-3-oxopropanoic acid
PubChem CID55049301
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-(dipentylamino)-3-oxopropanoic acid
SMILESCCCCCN(CCCCC)C(=O)CC(=O)O
InChIInChI=1S/C13H25NO3/c1-3-5-7-9-14(10-8-6-4-2)12(15)11-13(16)17/h3-11H2,1-2H3,(H,16,17)
InChIKeyWDFKSYNQKDWTQV-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[hexyl(2-hydroxyethyl)amino]-3-oxopropanoic acid
CID 62230259
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(undecyl)pentanamide
CID 532896
N,N-dioctyltetradecanamide
CID 169083302
hexyl(octadecyl)carbamic acid
CID 87702094
2-chloro-N,N-di(nonyl)acetamide
CID 533173
2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate
CID 87317133
2-[2-(dipentylamino)-2-oxoethoxy]-N,N-dipentylacetamide
CID 102105691
N-butyl-N-octyldecanamide
CID 18913402

Frequently Asked Questions

What is the IUPAC name of 3-(dipentylamino)-3-oxopropanoic acid?
The IUPAC name of 3-(dipentylamino)-3-oxopropanoic acid (CID 55049301) is 3-(dipentylamino)-3-oxopropanoic acid.
What is the SMILES notation for 3-(dipentylamino)-3-oxopropanoic acid?
The canonical SMILES for 3-(dipentylamino)-3-oxopropanoic acid is CCCCCN(CCCCC)C(=O)CC(=O)O.
What is the InChIKey of 3-(dipentylamino)-3-oxopropanoic acid?
The InChIKey is WDFKSYNQKDWTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-5-7-9-14(10-8-6-4-2)12(15)11-13(16)17/h3-11H2,1-2H3,(H,16,17).
What are the key properties of 3-(dipentylamino)-3-oxopropanoic acid?
3-(dipentylamino)-3-oxopropanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipentylamino)-3-oxopropanoic acid is sourced from PubChem (CID 55049301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).