[2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate

C12H15NO4 — CID 54042669

IUPAC[2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate
SMILESCNC(=O)COC(=O)[C@@H](C)c1ccc(O)cc1
InChIInChI=1S/C12H15NO4/c1-8(9-3-5-10(14)6-4-9)12(16)17-7-11(15)13-2/h3-6,8,14H,7H2,1-2H3,(H,13,15)/t8-/m0/s1
InChIKeyLNLANWIAJSOFFS-QMMMGPOBSA-N
MW237.25 g/mol
LogP0.78
Rot. Bonds4

About [2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate

[2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate (PubChem CID 54042669) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate
PubChem CID54042669
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate
SMILESCNC(=O)COC(=O)[C@@H](C)c1ccc(O)cc1
InChIInChI=1S/C12H15NO4/c1-8(9-3-5-10(14)6-4-9)12(16)17-7-11(15)13-2/h3-6,8,14H,7H2,1-2H3,(H,13,15)/t8-/m0/s1
InChIKeyLNLANWIAJSOFFS-QMMMGPOBSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate
CID 21326469
phosphanyl 2-(4-hydroxyphenyl)propanoate
CID 121404304
(2-hydrazinyl-2-oxoethyl) (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 70810306
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate
CID 54422834
2-(2-hydrazinyl-2-oxoethoxy)acetohydrazide;4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 68738715
2-[1-(4-hydroxyphenyl)propylamino]propanoic acid
CID 61499813
(4-hydroxyphenyl) 2-(methylamino)propanoate
CID 77292098
(2S)-2-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 86330548
ethyl 2-[2-(4-hydroxyphenyl)propanoyloxy]-3-oxobutanoate
CID 21326470
[2-(2-methylpropylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2371049
2-amino-2-(4-hydroxyphenyl)-N-methylacetamide;hydrochloride
CID 23346504
methyl 2-(4-aminophenyl)propanoate
CID 3016109

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate (CID 54042669) is [2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate is CNC(=O)COC(=O)[C@@H](C)c1ccc(O)cc1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate?
The InChIKey is LNLANWIAJSOFFS-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(9-3-5-10(14)6-4-9)12(16)17-7-11(15)13-2/h3-6,8,14H,7H2,1-2H3,(H,13,15)/t8-/m0/s1.
What are the key properties of [2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate?
[2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate has a molecular weight of 237.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] (2S)-2-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 54042669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).