2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid

C14H25NO5 — CID 82323920

IUPAC2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid
SMILESCCC(CC)C(=O)N(CC(C)C(=O)O)C(CC)C(=O)O
InChIInChI=1S/C14H25NO5/c1-5-10(6-2)12(16)15(8-9(4)13(17)18)11(7-3)14(19)20/h9-11H,5-8H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyFYRXSIXGCRDHKQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.84
Rot. Bonds9

About 2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid

2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid (PubChem CID 82323920) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid
PubChem CID82323920
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid
SMILESCCC(CC)C(=O)N(CC(C)C(=O)O)C(CC)C(=O)O
InChIInChI=1S/C14H25NO5/c1-5-10(6-2)12(16)15(8-9(4)13(17)18)11(7-3)14(19)20/h9-11H,5-8H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyFYRXSIXGCRDHKQ-UHFFFAOYSA-N
XLogP1.84
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic 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

2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid
CID 82323705
2-[2-carboxypropyl(pentanoyl)amino]butanoic acid
CID 82323586
2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid
CID 82324036
3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323658
3-[2-ethylbutanoyl(2-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82323893
2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid
CID 82324234
3-[2-ethylbutanoyl(pentyl)amino]-2-methylpropanoic acid
CID 82323896
2-[2-carboxypropyl(3-oxobutan-2-yl)amino]butanoic acid
CID 82329397
3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
CID 82323902
3-[3-carboxypropyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
CID 82323914
3-[2-ethylhexanoyl(methyl)amino]-2-methylpropanoic acid
CID 55007969
2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid
CID 134524402

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid?
The IUPAC name of 2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid (CID 82323920) is 2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid.
What is the SMILES notation for 2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid?
The canonical SMILES for 2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid is CCC(CC)C(=O)N(CC(C)C(=O)O)C(CC)C(=O)O.
What is the InChIKey of 2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid?
The InChIKey is FYRXSIXGCRDHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-5-10(6-2)12(16)15(8-9(4)13(17)18)11(7-3)14(19)20/h9-11H,5-8H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid?
2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid has a molecular weight of 287.36 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxypropyl(2-ethylbutanoyl)amino]butanoic acid is sourced from PubChem (CID 82323920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).