4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid

C14H24N2O6 — CID 59172344

IUPAC4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid
SMILESCCCCN(CCNC(=O)CCC(=O)O)C(=O)CCC(=O)O
InChIInChI=1S/C14H24N2O6/c1-2-3-9-16(12(18)5-7-14(21)22)10-8-15-11(17)4-6-13(19)20/h2-10H2,1H3,(H,15,17)(H,19,20)(H,21,22)
InChIKeyJVZMYDLYGJBRBQ-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.46
Rot. Bonds12

About 4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid

4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid (PubChem CID 59172344) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid
PubChem CID59172344
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid
SMILESCCCCN(CCNC(=O)CCC(=O)O)C(=O)CCC(=O)O
InChIInChI=1S/C14H24N2O6/c1-2-3-9-16(12(18)5-7-14(21)22)10-8-15-11(17)4-6-13(19)20/h2-10H2,1H3,(H,15,17)(H,19,20)(H,21,22)
InChIKeyJVZMYDLYGJBRBQ-UHFFFAOYSA-N
XLogP0.46
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-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

4-(4-Acetylpiperazin-1-yl)-4-oxobutanoic acid
CID 851827
N-(3-carboxypropanoyl)-N-hydroxyputrescine
CID 16654923
4-(2,2-Dimethyl-3-oxo-piperazin-1-yl)-4-oxo-butyric acid
CID 1089068
4,4'-(Ethylenediimino)bis(4-oxobutyric) acid
CID 90288
4-Glycylaminobutyric acid
CID 99281
4-Oxo-4-piperazin-1-yl-butyric acid
CID 833228
3-(propylcarbamoyl)propanoic Acid
CID 4034758
4-Oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
CID 2761130
(S)-3-Amino-N-((S)-1-carbamoyl-ethyl)-succinamic acid
CID 44398529
N,N,N~2~-Triethyl-alpha-asparagine
CID 206736
3-((1-Carbamoylpropyl)carbamoyl)propanoic acid
CID 129850692
(3S)-3-carbamoyl-3-acetamidopropanoic acid
CID 7019845

Frequently Asked Questions

What is the IUPAC name of 4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid (CID 59172344) is 4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid is CCCCN(CCNC(=O)CCC(=O)O)C(=O)CCC(=O)O.
What is the InChIKey of 4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid?
The InChIKey is JVZMYDLYGJBRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-2-3-9-16(12(18)5-7-14(21)22)10-8-15-11(17)4-6-13(19)20/h2-10H2,1H3,(H,15,17)(H,19,20)(H,21,22).
What are the key properties of 4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid?
4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid has a molecular weight of 316.35 g/mol, XLogP of 0.46, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[butyl(3-carboxypropanoyl)amino]ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 59172344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).