2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid

C17H19NO2 — CID 65265422

IUPAC2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
SMILESCC(C)(NCc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H19NO2/c1-17(2,16(19)20)18-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3,(H,19,20)
InChIKeyBYYMKQYWVFYHRM-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.31
Rot. Bonds5

About 2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid

2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid (PubChem CID 65265422) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
PubChem CID65265422
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
SMILESCC(C)(NCc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H19NO2/c1-17(2,16(19)20)18-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3,(H,19,20)
InChIKeyBYYMKQYWVFYHRM-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid
CID 65263874
2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 115127961
methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382
3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine
CID 65039408
2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid
CID 18980609
3-methyl-3-N-[(4-phenylphenyl)methyl]butane-1,3-diamine
CID 115134703
2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride
CID 115618466
2-(furan-3-ylmethylamino)-2-methylpropanoic acid
CID 83171452
2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 65264174
2-[(4-methylphenyl)methylamino]-2,2-diphenylacetic acid
CID 175102525
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-methylpropanoic acid
CID 115127938
N-[(4-phenylphenyl)methyl]ethanesulfonamide
CID 110781116

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid (CID 65265422) is 2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid is CC(C)(NCc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid?
The InChIKey is BYYMKQYWVFYHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2,16(19)20)18-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid?
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid is sourced from PubChem (CID 65265422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).