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

C12H21NO5 — CID 82323705

IUPAC2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CC(C)C(=O)O)C(=O)C(C)C
InChIInChI=1S/C12H21NO5/c1-5-9(12(17)18)13(10(14)7(2)3)6-8(4)11(15)16/h7-9H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyYUSSSEPNWNRUMJ-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.05
Rot. Bonds7

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

2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid (PubChem CID 82323705) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid
PubChem CID82323705
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CC(C)C(=O)O)C(=O)C(C)C
InChIInChI=1S/C12H21NO5/c1-5-9(12(17)18)13(10(14)7(2)3)6-8(4)11(15)16/h7-9H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyYUSSSEPNWNRUMJ-UHFFFAOYSA-N
XLogP1.05
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-carboxypropyl(2-methylpropanoyl)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-ethylbutanoyl)amino]butanoic acid
CID 82323920
3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323658
2-[2-carboxypropyl(pentanoyl)amino]butanoic acid
CID 82323586
2-[2-carboxypropyl(cyclopropanecarbonyl)amino]butanoic acid
CID 82324036
2-[2-carboxypropyl(cyclohexanecarbonyl)amino]butanoic acid
CID 82324234
(2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid
CID 54292469
2-[2-carboxypropyl(3-oxobutan-2-yl)amino]butanoic acid
CID 82329397
2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid
CID 134524402
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712
2-[methyl(propan-2-yl)amino]butanoic acid
CID 43808956
2-[bis(3-methylbutyl)amino]butanoic acid
CID 107870312
(2S)-2-[bis(2-carboxypropyl)amino]butanedioic acid
CID 139720141

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid?
The IUPAC name of 2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid (CID 82323705) is 2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid.
What is the SMILES notation for 2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid?
The canonical SMILES for 2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid is CCC(C(=O)O)N(CC(C)C(=O)O)C(=O)C(C)C.
What is the InChIKey of 2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid?
The InChIKey is YUSSSEPNWNRUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-5-9(12(17)18)13(10(14)7(2)3)6-8(4)11(15)16/h7-9H,5-6H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid?
2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid has a molecular weight of 259.30 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid is sourced from PubChem (CID 82323705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).