(2S)-2-anilino-2-phenylacetate

C14H12NO2- — CID 6993805

IUPAC(2S)-2-anilino-2-phenylacetate
SMILESO=C([O-])[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-14(17)13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17)/p-1/t13-/m0/s1
InChIKeyNFEVMRNCAGDLBK-ZDUSSCGKSA-M
MW226.26 g/mol
LogP1.59
Rot. Bonds4

About (2S)-2-anilino-2-phenylacetate

(2S)-2-anilino-2-phenylacetate (PubChem CID 6993805) has the molecular formula C14H12NO2- and a molecular weight of 226.26 g/mol. Its IUPAC name is (2S)-2-anilino-2-phenylacetate.

Molecular Properties

Compound Name(2S)-2-anilino-2-phenylacetate
PubChem CID6993805
Molecular FormulaC14H12NO2-
Molecular Weight226.26 g/mol
Exact Mass226.09
IUPAC Name(2S)-2-anilino-2-phenylacetate
SMILESO=C([O-])[C@@H](Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-14(17)13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17)/p-1/t13-/m0/s1
InChIKeyNFEVMRNCAGDLBK-ZDUSSCGKSA-M
XLogP1.59
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-anilino-2-(4-chlorophenyl)acetate
CID 7148177
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
(2S)-2-anilino-1,2-diphenylethanone
CID 36689702
2-anilino-2-phenylacetamide;ethane
CID 142824395
(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
(2S)-2-(2-methoxyanilino)-2-phenylacetate
CID 7148257
methyl 4-anilino-3-oxo-4-phenylbutanoate
CID 15062728
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
(2R)-2-(4-chloroanilino)-2-(4-methylphenyl)acetate
CID 7152564
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
(2R)-2-(3-chloroanilino)-2-(4-methylphenyl)acetate
CID 7152560

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-2-phenylacetate?
The IUPAC name of (2S)-2-anilino-2-phenylacetate (CID 6993805) is (2S)-2-anilino-2-phenylacetate.
What is the SMILES notation for (2S)-2-anilino-2-phenylacetate?
The canonical SMILES for (2S)-2-anilino-2-phenylacetate is O=C([O-])[C@@H](Nc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-anilino-2-phenylacetate?
The InChIKey is NFEVMRNCAGDLBK-ZDUSSCGKSA-M. The full InChI is InChI=1S/C14H13NO2/c16-14(17)13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17)/p-1/t13-/m0/s1.
What are the key properties of (2S)-2-anilino-2-phenylacetate?
(2S)-2-anilino-2-phenylacetate has a molecular weight of 226.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-2-phenylacetate is sourced from PubChem (CID 6993805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).