ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate

C12H15NO4 — CID 93477748

IUPACethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate
SMILESCCOC(=O)[C@@H](NC(C)=O)c1ccc(O)cc1
InChIInChI=1S/C12H15NO4/c1-3-17-12(16)11(13-8(2)14)9-4-6-10(15)7-5-9/h4-7,11,15H,3H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeySXTAOIFRRTYQDL-NSHDSACASA-N
MW237.25 g/mol
LogP1.13
Rot. Bonds4

About ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate

ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate (PubChem CID 93477748) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate
PubChem CID93477748
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Nameethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate
SMILESCCOC(=O)[C@@H](NC(C)=O)c1ccc(O)cc1
InChIInChI=1S/C12H15NO4/c1-3-17-12(16)11(13-8(2)14)9-4-6-10(15)7-5-9/h4-7,11,15H,3H2,1-2H3,(H,13,14)/t11-/m0/s1
InChIKeySXTAOIFRRTYQDL-NSHDSACASA-N
XLogP1.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 159192665
CID 159192665
N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide
CID 82114951
ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate
CID 54894410
methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate
CID 10125222
3-ethoxy-2-(4-hydroxyphenyl)-3-oxopropanoic acid
CID 140981315
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 2723594
butyl (2R)-2-acetamido-2-phenylacetate
CID 11096964
ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate
CID 61001373
ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
CID 105451309
4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;ethyl acetate
CID 139176333
ethyl 2-bromo-2-(4-hydroxyphenyl)acetate
CID 88979124

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate?
The IUPAC name of ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate (CID 93477748) is ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate is CCOC(=O)[C@@H](NC(C)=O)c1ccc(O)cc1.
What is the InChIKey of ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate?
The InChIKey is SXTAOIFRRTYQDL-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-17-12(16)11(13-8(2)14)9-4-6-10(15)7-5-9/h4-7,11,15H,3H2,1-2H3,(H,13,14)/t11-/m0/s1.
What are the key properties of ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate?
ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate has a molecular weight of 237.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 93477748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).