3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid

C13H24N2O4 — CID 119232796

IUPAC3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
SMILESCCN(CC)C(=O)CCCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-15(5-2)12(17)8-6-7-11(16)14(3)10-9-13(18)19/h4-10H2,1-3H3,(H,18,19)
InChIKeyOOFMTWJNJIQFCH-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.96
Rot. Bonds9

About 3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid

3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid (PubChem CID 119232796) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
PubChem CID119232796
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
SMILESCCN(CC)C(=O)CCCC(=O)N(C)CCC(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-15(5-2)12(17)8-6-7-11(16)14(3)10-9-13(18)19/h4-10H2,1-3H3,(H,18,19)
InChIKeyOOFMTWJNJIQFCH-UHFFFAOYSA-N
XLogP0.96
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119233192
CID 88685642
CID 88685642
sodium 3-[methyl(tetradecanoyl)amino]propanoic acid
CID 22614079
12-(diethylamino)-12-oxododecanoic acid
CID 19794003
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
8-[ethyl(methyl)amino]-8-oxooctanoic acid
CID 175615328
3-[[5-(diethylamino)-5-oxopentanoyl]amino]propanoic acid
CID 119177201
4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
2-[[4-(diethylamino)-4-oxobutyl]amino]acetic acid
CID 43465984
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
N,N,N',N'-tetraethyl-5-oxononanediamide
CID 24828551

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid (CID 119232796) is 3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid is CCN(CC)C(=O)CCCC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid?
The InChIKey is OOFMTWJNJIQFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-15(5-2)12(17)8-6-7-11(16)14(3)10-9-13(18)19/h4-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid?
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid is sourced from PubChem (CID 119232796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).