2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid

C10H19NO4 — CID 23326141

IUPAC2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N(CC(=O)O)C(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)9(10(14)15)11(7(3)4)5-8(12)13/h6-7,9H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyWICHIYAEMPJYQH-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.89
Rot. Bonds6

About 2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid

2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid (PubChem CID 23326141) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid
PubChem CID23326141
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N(CC(=O)O)C(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)9(10(14)15)11(7(3)4)5-8(12)13/h6-7,9H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyWICHIYAEMPJYQH-UHFFFAOYSA-N
XLogP0.89
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic 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

(2S)-2-(dimethylamino)-4-methylpentanoic acid
CID 11658330
N,N-Dimethyl-L-Valine
CID 11008044
n,n-Dimethylisoleucine
CID 11768849
(2S)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 22885074
HMBOA hexose
CID 18628337
N,N-Dipropyl-L-alanine
CID 14274716
(2R)-2-(dimethylamino)-4-methylpentanoic acid
CID 21030588
(2R)-2-(dimethylamino)-3-methylbutanoic acid
CID 40493914
2-(Diethylamino)butanoic acid hydrochloride
CID 54594122
2-((1-Carboxyethyl)amino)-3-methylbutanoic acid
CID 66171937
(2R)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 92534057
2-(Diethylamino)butanoic acid
CID 23290221

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid (CID 23326141) is 2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid is CC(C)C(C(=O)O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid?
The InChIKey is WICHIYAEMPJYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6(2)9(10(14)15)11(7(3)4)5-8(12)13/h6-7,9H,5H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid?
2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(propan-2-yl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 23326141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).