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

C15H21NO4 — CID 61399994

IUPACmethyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)Cc1cccc(O)c1)C(=O)OC
InChIInChI=1S/C15H21NO4/c1-4-8-15(2,14(19)20-3)16-13(18)10-11-6-5-7-12(17)9-11/h5-7,9,17H,4,8,10H2,1-3H3,(H,16,18)
InChIKeyVWRBJXUIMXCVNN-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.78
Rot. Bonds6

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

methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate (PubChem CID 61399994) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate
PubChem CID61399994
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)Cc1cccc(O)c1)C(=O)OC
InChIInChI=1S/C15H21NO4/c1-4-8-15(2,14(19)20-3)16-13(18)10-11-6-5-7-12(17)9-11/h5-7,9,17H,4,8,10H2,1-3H3,(H,16,18)
InChIKeyVWRBJXUIMXCVNN-UHFFFAOYSA-N
XLogP1.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate
CID 62388212
methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423692
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423685
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
methyl 3-(3-hydroxyphenyl)-2,2-dimethylpropanoate
CID 67520417
methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate
CID 82830810
methyl 2-methyl-2-[[2-(2-nitrophenyl)acetyl]amino]pentanoate
CID 134034462
N-(1-amino-2-methylbutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 64548850
2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid
CID 79806517
methyl 2-methyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]pentanoate
CID 43431443
1-chloro-3-methylbenzene;methyl 2-acetamido-2-methylpentanoate
CID 174325893
2-(3-hydroxyphenyl)-N-(1-methoxy-2-phenylpropan-2-yl)acetamide
CID 75518765

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate (CID 61399994) is methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate is CCCC(C)(NC(=O)Cc1cccc(O)c1)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate?
The InChIKey is VWRBJXUIMXCVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-8-15(2,14(19)20-3)16-13(18)10-11-6-5-7-12(17)9-11/h5-7,9,17H,4,8,10H2,1-3H3,(H,16,18).
What are the key properties of methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate?
methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate has a molecular weight of 279.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate is sourced from PubChem (CID 61399994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).