2-(dipentylamino)-5-oxopentanoic acid

C15H29NO3 — CID 19977200

IUPAC2-(dipentylamino)-5-oxopentanoic acid
SMILESCCCCCN(CCCCC)C(CCC=O)C(=O)O
InChIInChI=1S/C15H29NO3/c1-3-5-7-11-16(12-8-6-4-2)14(15(18)19)10-9-13-17/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyWWGVGPYGJGGIJW-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.10
Rot. Bonds13

About 2-(dipentylamino)-5-oxopentanoic acid

2-(dipentylamino)-5-oxopentanoic acid (PubChem CID 19977200) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(dipentylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name2-(dipentylamino)-5-oxopentanoic acid
PubChem CID19977200
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-(dipentylamino)-5-oxopentanoic acid
SMILESCCCCCN(CCCCC)C(CCC=O)C(=O)O
InChIInChI=1S/C15H29NO3/c1-3-5-7-11-16(12-8-6-4-2)14(15(18)19)10-9-13-17/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyWWGVGPYGJGGIJW-UHFFFAOYSA-N
XLogP3.10
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
(2S)-2-[dodecyl(propyl)amino]-4-hydroxybutanoic acid
CID 158745889
(2S)-6-amino-2-(dipentylamino)hexanoic acid
CID 57295047
2-[2-carboxyethyl(hexyl)amino]pentanoic acid
CID 82328380
2-(dihexylamino)-3-hydroxypropanoic acid
CID 175360727
(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
CID 150171158
CID 175857713
CID 175857713
5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid
CID 177260030
2-(diethylamino)heptanoic acid
CID 43803668
2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199
CID 158112465
CID 158112465

Frequently Asked Questions

What is the IUPAC name of 2-(dipentylamino)-5-oxopentanoic acid?
The IUPAC name of 2-(dipentylamino)-5-oxopentanoic acid (CID 19977200) is 2-(dipentylamino)-5-oxopentanoic acid.
What is the SMILES notation for 2-(dipentylamino)-5-oxopentanoic acid?
The canonical SMILES for 2-(dipentylamino)-5-oxopentanoic acid is CCCCCN(CCCCC)C(CCC=O)C(=O)O.
What is the InChIKey of 2-(dipentylamino)-5-oxopentanoic acid?
The InChIKey is WWGVGPYGJGGIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-5-7-11-16(12-8-6-4-2)14(15(18)19)10-9-13-17/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-(dipentylamino)-5-oxopentanoic acid?
2-(dipentylamino)-5-oxopentanoic acid has a molecular weight of 271.40 g/mol, XLogP of 3.10, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipentylamino)-5-oxopentanoic acid is sourced from PubChem (CID 19977200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).