2-(benzhydrylamino)-2-methylpropanoic acid

C17H19NO2 — CID 174216539

IUPAC2-(benzhydrylamino)-2-methylpropanoic acid
SMILESCC(C)(NC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C17H19NO2/c1-17(2,16(19)20)18-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3,(H,19,20)
InChIKeyVRTASBMEOGMRKB-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.23
Rot. Bonds5

About 2-(benzhydrylamino)-2-methylpropanoic acid

2-(benzhydrylamino)-2-methylpropanoic acid (PubChem CID 174216539) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(benzhydrylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(benzhydrylamino)-2-methylpropanoic acid
PubChem CID174216539
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(benzhydrylamino)-2-methylpropanoic acid
SMILESCC(C)(NC(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C17H19NO2/c1-17(2,16(19)20)18-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3,(H,19,20)
InChIKeyVRTASBMEOGMRKB-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
1-benzhydryl-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911309
N-benzhydryl-1,1,1-trifluoromethanamine
CID 70275590
2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid
CID 82238331
2-(benzhydrylamino)-2-phenylpropanenitrile
CID 101454893
3-hydroxy-2-methyl-2-(methylamino)-3-phenylpropanoic acid
CID 555334
2-methyl-2-(tritylamino)propanoic acid
CID 71215938
2,2-dimethyl-3-[[phenyl(pyridin-4-yl)methyl]amino]propanoic acid
CID 79621337
2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one
CID 68740587
2-(tert-butylamino)-N,N-diethyl-2-phenylacetamide
CID 11118885
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2,2-dimethylpropanamide
CID 134948149
2-methyl-2-[methyl-(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 65061275

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(benzhydrylamino)-2-methylpropanoic acid (CID 174216539) is 2-(benzhydrylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(benzhydrylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(benzhydrylamino)-2-methylpropanoic acid is CC(C)(NC(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of 2-(benzhydrylamino)-2-methylpropanoic acid?
The InChIKey is VRTASBMEOGMRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-17(2,16(19)20)18-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3,(H,19,20).
What are the key properties of 2-(benzhydrylamino)-2-methylpropanoic acid?
2-(benzhydrylamino)-2-methylpropanoic acid has a molecular weight of 269.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-2-methylpropanoic acid is sourced from PubChem (CID 174216539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).