(2S)-2-(2-methoxyanilino)-2-phenylacetate

C15H14NO3- — CID 7148257

IUPAC(2S)-2-(2-methoxyanilino)-2-phenylacetate
SMILESCOc1ccccc1N[C@H](C(=O)[O-])c1ccccc1
InChIInChI=1S/C15H15NO3/c1-19-13-10-6-5-9-12(13)16-14(15(17)18)11-7-3-2-4-8-11/h2-10,14,16H,1H3,(H,17,18)/p-1/t14-/m0/s1
InChIKeyPDUDOAVLOFDXSL-AWEZNQCLSA-M
MW256.28 g/mol
LogP1.60
Rot. Bonds5

About (2S)-2-(2-methoxyanilino)-2-phenylacetate

(2S)-2-(2-methoxyanilino)-2-phenylacetate (PubChem CID 7148257) has the molecular formula C15H14NO3- and a molecular weight of 256.28 g/mol. Its IUPAC name is (2S)-2-(2-methoxyanilino)-2-phenylacetate.

Molecular Properties

Compound Name(2S)-2-(2-methoxyanilino)-2-phenylacetate
PubChem CID7148257
Molecular FormulaC15H14NO3-
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name(2S)-2-(2-methoxyanilino)-2-phenylacetate
SMILESCOc1ccccc1N[C@H](C(=O)[O-])c1ccccc1
InChIInChI=1S/C15H15NO3/c1-19-13-10-6-5-9-12(13)16-14(15(17)18)11-7-3-2-4-8-11/h2-10,14,16H,1H3,(H,17,18)/p-1/t14-/m0/s1
InChIKeyPDUDOAVLOFDXSL-AWEZNQCLSA-M
XLogP1.60
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetate
CID 7148291
(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide
CID 41012863
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
2-(4-hydroxyphenyl)-2-(2-methoxyanilino)acetic acid
CID 60993438
(2R)-2-(2-methoxyanilino)-2-(4-methylphenyl)acetic acid
CID 7148292
(2R)-2-(4-chlorophenyl)-2-(2-methoxyanilino)acetic acid
CID 7148168
methyl 2-(4-chlorophenyl)-2-(2-methoxyanilino)acetate
CID 60993728
2-(4-fluorophenyl)-2-(2-methoxyanilino)acetamide
CID 60710758
2-(4-fluoro-2-methoxyanilino)-2-phenylacetic acid
CID 103245512
(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 54890874
(2S)-2-anilino-2-phenylacetate
CID 6993805

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyanilino)-2-phenylacetate?
The IUPAC name of (2S)-2-(2-methoxyanilino)-2-phenylacetate (CID 7148257) is (2S)-2-(2-methoxyanilino)-2-phenylacetate.
What is the SMILES notation for (2S)-2-(2-methoxyanilino)-2-phenylacetate?
The canonical SMILES for (2S)-2-(2-methoxyanilino)-2-phenylacetate is COc1ccccc1N[C@H](C(=O)[O-])c1ccccc1.
What is the InChIKey of (2S)-2-(2-methoxyanilino)-2-phenylacetate?
The InChIKey is PDUDOAVLOFDXSL-AWEZNQCLSA-M. The full InChI is InChI=1S/C15H15NO3/c1-19-13-10-6-5-9-12(13)16-14(15(17)18)11-7-3-2-4-8-11/h2-10,14,16H,1H3,(H,17,18)/p-1/t14-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyanilino)-2-phenylacetate?
(2S)-2-(2-methoxyanilino)-2-phenylacetate has a molecular weight of 256.28 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyanilino)-2-phenylacetate is sourced from PubChem (CID 7148257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).