methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate

C15H21NO4 — CID 82830810

IUPACmethyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1cccc(O)c1C)C(=O)OC
InChIInChI=1S/C15H21NO4/c1-5-9-15(3,14(19)20-4)16-13(18)11-7-6-8-12(17)10(11)2/h6-8,17H,5,9H2,1-4H3,(H,16,18)
InChIKeyFVIRKSDMBFZQCT-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.16
Rot. Bonds5

About methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate

methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate (PubChem CID 82830810) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate
PubChem CID82830810
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1cccc(O)c1C)C(=O)OC
InChIInChI=1S/C15H21NO4/c1-5-9-15(3,14(19)20-4)16-13(18)11-7-6-8-12(17)10(11)2/h6-8,17H,5,9H2,1-4H3,(H,16,18)
InChIKeyFVIRKSDMBFZQCT-UHFFFAOYSA-N
XLogP2.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-iodo-3-methylbenzoyl)amino]-2-methylpentanoate
CID 47350798
methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate
CID 104918520
methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate
CID 112822198
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate
CID 79769737
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
CID 115745717
methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
CID 43431377
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate
CID 61399994
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-bromo-4-fluorobenzoyl)amino]-2-methylpentanoate
CID 43423763

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate (CID 82830810) is methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1cccc(O)c1C)C(=O)OC.
What is the InChIKey of methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate?
The InChIKey is FVIRKSDMBFZQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-9-15(3,14(19)20-4)16-13(18)11-7-6-8-12(17)10(11)2/h6-8,17H,5,9H2,1-4H3,(H,16,18).
What are the key properties of methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate?
methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate has a molecular weight of 279.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate is sourced from PubChem (CID 82830810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).