2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid

C16H23NO3 — CID 43437622

IUPAC2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid
SMILESCC(C)CN(C)C(=O)CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-12(2)11-17(4)14(18)10-16(3,15(19)20)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,19,20)
InChIKeyBHWFMSJCQIGODF-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.53
Rot. Bonds6

About 2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid

2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid (PubChem CID 43437622) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid
PubChem CID43437622
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid
SMILESCC(C)CN(C)C(=O)CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-12(2)11-17(4)14(18)10-16(3,15(19)20)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,19,20)
InChIKeyBHWFMSJCQIGODF-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic 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-methyl-4-[methyl(3-methylbutyl)amino]-4-oxo-2-phenylbutanoic acid
CID 60948204
3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid
CID 62270669
2-methyl-4-[methyl(1-methylsulfanylpropan-2-yl)amino]-4-oxo-2-phenylbutanoic acid
CID 115985474
4-[butan-2-yl(ethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437636
2-methyl-4-oxo-2-phenyl-4-[propan-2-yl(propyl)amino]butanoic acid
CID 43437606
4-[1-cyanopropan-2-yl(methyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 63223027
2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 114992186
4-[cyclopropyl(ethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437578
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid
CID 62270476
2,4-dimethyl-2-phenylpent-4-enoic acid
CID 69253057
4-(ethoxyamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 64974001
3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
CID 112754616

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid?
The IUPAC name of 2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid (CID 43437622) is 2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid.
What is the SMILES notation for 2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid?
The canonical SMILES for 2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid is CC(C)CN(C)C(=O)CC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid?
The InChIKey is BHWFMSJCQIGODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)11-17(4)14(18)10-16(3,15(19)20)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid?
2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid is sourced from PubChem (CID 43437622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).