3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid

C18H29NO2 — CID 62270669

IUPAC3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCC(C)CN(CC(C)C)CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-14(2)11-19(12-15(3)4)13-18(5,17(20)21)16-9-7-6-8-10-16/h6-10,14-15H,11-13H2,1-5H3,(H,20,21)
InChIKeyYEYKTLSJPCHUEN-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.64
Rot. Bonds8

About 3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid

3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 62270669) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid
PubChem CID62270669
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid
SMILESCC(C)CN(CC(C)C)CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-14(2)11-19(12-15(3)4)13-18(5,17(20)21)16-9-7-6-8-10-16/h6-10,14-15H,11-13H2,1-5H3,(H,20,21)
InChIKeyYEYKTLSJPCHUEN-UHFFFAOYSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic 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(2-methylpropyl)amino]-4-oxo-2-phenylbutanoic acid
CID 43437622
2-methyl-3-[methyl(2-methylbutyl)amino]-2-phenylpropanoic acid
CID 62270476
3-[2-methoxypropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
CID 112754616
3-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-phenylpropanoic acid
CID 55055318
3-bromo-2-methyl-2-phenylpropanoic acid
CID 131843257
2-methyl-2-phenyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272876
2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 114992186
3-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-phenylpropanoic acid
CID 63939484
2-methyl-4-[methyl(3-methylbutyl)amino]-4-oxo-2-phenylbutanoic acid
CID 60948204
(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
CID 139765294
4,4,4-trifluoro-2-methyl-2-phenylbutanoic acid
CID 146082222
2-methyl-4-[methyl(1-methylsulfanylpropan-2-yl)amino]-4-oxo-2-phenylbutanoic acid
CID 115985474

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid (CID 62270669) is 3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid is CC(C)CN(CC(C)C)CC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is YEYKTLSJPCHUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)11-19(12-15(3)4)13-18(5,17(20)21)16-9-7-6-8-10-16/h6-10,14-15H,11-13H2,1-5H3,(H,20,21).
What are the key properties of 3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid?
3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 291.44 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 62270669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).