2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid

C12H23NO3 — CID 82329209

IUPAC2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid
SMILESCC(=O)CN(CCC(C)C)CC(C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-9(2)5-6-13(8-11(4)14)7-10(3)12(15)16/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyJVKHZAFDCPLSLV-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.64
Rot. Bonds8

About 2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid

2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid (PubChem CID 82329209) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid
PubChem CID82329209
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid
SMILESCC(=O)CN(CCC(C)C)CC(C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-9(2)5-6-13(8-11(4)14)7-10(3)12(15)16/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyJVKHZAFDCPLSLV-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic 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-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid
CID 82329181
2-methyl-3-[3-methylbutyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327324
2-methyl-3-[3-methylbutyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329403
2-methyl-3-[3-methylbutyl-[(4-methylphenyl)methyl]amino]propanoic acid
CID 82328907
3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82326827
2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82328908
3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid
CID 82327114
3-[carboxymethyl(pentyl)amino]-2-methylpropanoic acid
CID 82328302
3-[ethyl(propyl)amino]-2-methylpropanoic acid
CID 43538770
3-[3-hydroxypropyl(2-methylpropyl)amino]-2-methylpropanoic acid
CID 82330162
3-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-2-methylpropanoic acid
CID 82327791
3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
CID 82327474

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid (CID 82329209) is 2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid is CC(=O)CN(CCC(C)C)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid?
The InChIKey is JVKHZAFDCPLSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)5-6-13(8-11(4)14)7-10(3)12(15)16/h9-10H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid?
2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid is sourced from PubChem (CID 82329209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).