methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate

C14H19NO4 — CID 78993299

IUPACmethyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)Cc1ccccc1O)C(C)C
InChIInChI=1S/C14H19NO4/c1-9(2)13(14(18)19-3)15-12(17)8-10-6-4-5-7-11(10)16/h4-7,9,13,16H,8H2,1-3H3,(H,15,17)
InChIKeyGDUUSWBYODUKKT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.25
Rot. Bonds5

About methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate

methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate (PubChem CID 78993299) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate
PubChem CID78993299
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)Cc1ccccc1O)C(C)C
InChIInChI=1S/C14H19NO4/c1-9(2)13(14(18)19-3)15-12(17)8-10-6-4-5-7-11(10)16/h4-7,9,13,16H,8H2,1-3H3,(H,15,17)
InChIKeyGDUUSWBYODUKKT-UHFFFAOYSA-N
XLogP1.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-methylbutanoate
CID 81321719
2-[2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601393
2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
methyl 3-methyl-2-[(2-pyridin-2-ylacetyl)amino]butanoate
CID 43623163
methyl 2-[[2-(4-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 43452000
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylbutanoate
CID 16625987
methyl 2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 55083996
methyl 2-[(2-hydroxybenzoyl)amino]-3-methylbutanoate
CID 43386280
methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate
CID 124596647
methyl (2S)-2-[(2-hydroxyphenyl)methylamino]propanoate
CID 43723616
N-(1-chloro-3-methylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
CID 114305332
methyl 3-methyl-2-[(4-oxo-4-phenylbutanoyl)amino]butanoate
CID 86978264

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate (CID 78993299) is methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate is COC(=O)C(NC(=O)Cc1ccccc1O)C(C)C.
What is the InChIKey of methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate?
The InChIKey is GDUUSWBYODUKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)13(14(18)19-3)15-12(17)8-10-6-4-5-7-11(10)16/h4-7,9,13,16H,8H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate?
methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate has a molecular weight of 265.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-hydroxyphenyl)acetyl]amino]-3-methylbutanoate is sourced from PubChem (CID 78993299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).