ethyl (2S)-2-acetamido-2-phenylacetate

C12H15NO3 — CID 14420202

IUPACethyl (2S)-2-acetamido-2-phenylacetate
SMILESCCOC(=O)[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-3-16-12(15)11(13-9(2)14)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyADQCYQILCVEXBK-NSHDSACASA-N
MW221.26 g/mol
LogP1.43
Rot. Bonds4

About ethyl (2S)-2-acetamido-2-phenylacetate

ethyl (2S)-2-acetamido-2-phenylacetate (PubChem CID 14420202) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl (2S)-2-acetamido-2-phenylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-acetamido-2-phenylacetate
PubChem CID14420202
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl (2S)-2-acetamido-2-phenylacetate
SMILESCCOC(=O)[C@@H](NC(C)=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-3-16-12(15)11(13-9(2)14)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeyADQCYQILCVEXBK-NSHDSACASA-N
XLogP1.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetyl-L-phenylalanine
CID 74839
Camylofin
CID 5902
Dapt
CID 5311272
2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
Afalanine
CID 2000
Methyl hippurate
CID 14566
Npc171139
CID 9832120
Camylofin hydrochloride
CID 23724817
3-Acetamido-3-phenylpropanoic acid
CID 3480882
Ethyl Hippurate
CID 226558
Aurantiamide Acetate
CID 10026486
l-Phenylalanine-, N-(p-toluoyl)-, methyl ester
CID 531438

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-acetamido-2-phenylacetate?
The IUPAC name of ethyl (2S)-2-acetamido-2-phenylacetate (CID 14420202) is ethyl (2S)-2-acetamido-2-phenylacetate.
What is the SMILES notation for ethyl (2S)-2-acetamido-2-phenylacetate?
The canonical SMILES for ethyl (2S)-2-acetamido-2-phenylacetate is CCOC(=O)[C@@H](NC(C)=O)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-acetamido-2-phenylacetate?
The InChIKey is ADQCYQILCVEXBK-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-16-12(15)11(13-9(2)14)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H,13,14)/t11-/m0/s1.
What are the key properties of ethyl (2S)-2-acetamido-2-phenylacetate?
ethyl (2S)-2-acetamido-2-phenylacetate has a molecular weight of 221.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-acetamido-2-phenylacetate is sourced from PubChem (CID 14420202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).