4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid

C13H25NO3 — CID 146341512

IUPAC4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid
SMILESCCCN(CCC(C)CC)C(=O)CCC(=O)O
InChIInChI=1S/C13H25NO3/c1-4-9-14(10-8-11(3)5-2)12(15)6-7-13(16)17/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyDBRRUKOAPOBAEK-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.53
Rot. Bonds9

About 4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid

4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid (PubChem CID 146341512) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid
PubChem CID146341512
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid
SMILESCCCN(CCC(C)CC)C(=O)CCC(=O)O
InChIInChI=1S/C13H25NO3/c1-4-9-14(10-8-11(3)5-2)12(15)6-7-13(16)17/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyDBRRUKOAPOBAEK-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-methylpentyl(propyl)amino]-4-oxobutanoic 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-formamido-N-(3-methylpentyl)-N-propylpropanamide
CID 177056535
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 54916205
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 61041902
3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327106
(18R)-18-methylicosanoic acid
CID 71587706
2-[bis[2-(dipropylamino)-2-oxoethyl]amino]acetic acid
CID 138501380
3-[3-methylbutanoyl(3-methylbutyl)amino]propanoic acid
CID 82324105
(5S)-5-methyl-N-[(3R)-3-methyl-4-oxo-4-[[(2R)-1-phenylpropan-2-yl]amino]butyl]-N-propylheptanamide
CID 167496660
N,N-dipropylnonadecanamide
CID 12960009
[2-(dipropylamino)-2-oxoethyl]phosphonic acid
CID 19906185
3-[acetyl(propyl)amino]-N,N-dipropylpropanamide
CID 113114998

Frequently Asked Questions

What is the IUPAC name of 4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid (CID 146341512) is 4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid is CCCN(CCC(C)CC)C(=O)CCC(=O)O.
What is the InChIKey of 4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid?
The InChIKey is DBRRUKOAPOBAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-9-14(10-8-11(3)5-2)12(15)6-7-13(16)17/h11H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid?
4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 146341512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).