(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid

C16H17NO2 — CID 7148217

IUPAC(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid
SMILESCc1ccc(N[C@@H](C(=O)O)c2ccccc2)cc1C
InChIInChI=1S/C16H17NO2/c1-11-8-9-14(10-12(11)2)17-15(16(18)19)13-6-4-3-5-7-13/h3-10,15,17H,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyGNWPCRABGHIXGH-OAHLLOKOSA-N
MW255.32 g/mol
LogP3.54
Rot. Bonds4

About (2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid

(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid (PubChem CID 7148217) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid
PubChem CID7148217
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid
SMILESCc1ccc(N[C@@H](C(=O)O)c2ccccc2)cc1C
InChIInChI=1S/C16H17NO2/c1-11-8-9-14(10-12(11)2)17-15(16(18)19)13-6-4-3-5-7-13/h3-10,15,17H,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyGNWPCRABGHIXGH-OAHLLOKOSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-(3-bromoanilino)-2-(3,4-dimethylphenyl)acetic acid
CID 60993854
2-(3,4-difluoroanilino)-2-phenylacetic acid
CID 70136310
2-phenyl-2-(3-propan-2-ylanilino)acetic acid
CID 21063795
2-(4-tert-butylanilino)-2-phenylacetic acid
CID 103232176
2-(3-fluoro-4-methylanilino)-2-phenylacetamide
CID 47137894
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate
CID 135028793
2-(4-cyanoanilino)-2-phenylacetic acid
CID 22039129
2-(3-ethoxyanilino)-2-phenylacetic acid
CID 103245685
methyl 2-anilino-2-(3,4-dimethylphenyl)acetate
CID 60990951
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid (CID 7148217) is (2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid is Cc1ccc(N[C@@H](C(=O)O)c2ccccc2)cc1C.
What is the InChIKey of (2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid?
The InChIKey is GNWPCRABGHIXGH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-8-9-14(10-12(11)2)17-15(16(18)19)13-6-4-3-5-7-13/h3-10,15,17H,1-2H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid?
(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid has a molecular weight of 255.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid is sourced from PubChem (CID 7148217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).