methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate

C14H19NO4 — CID 43386291

IUPACmethyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cc(C)ccc1O)C(C)C
InChIInChI=1S/C14H19NO4/c1-8(2)12(14(18)19-4)15-13(17)10-7-9(3)5-6-11(10)16/h5-8,12,16H,1-4H3,(H,15,17)
InChIKeyNELFEAXAESVHKL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.63
Rot. Bonds4

About methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate

methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate (PubChem CID 43386291) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate
PubChem CID43386291
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cc(C)ccc1O)C(C)C
InChIInChI=1S/C14H19NO4/c1-8(2)12(14(18)19-4)15-13(17)10-7-9(3)5-6-11(10)16/h5-8,12,16H,1-4H3,(H,15,17)
InChIKeyNELFEAXAESVHKL-UHFFFAOYSA-N
XLogP1.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 113233078
methyl 2-[(2-bromo-5-methylbenzoyl)amino]-3-methylbutanoate
CID 80979700
methyl 2-[(2-hydroxybenzoyl)amino]-3-methylbutanoate
CID 43386280
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
(2R)-2-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 79010669
2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
CID 79030607
2-hydroxy-5-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43372458
methyl 2-[(2-hydroxy-5-methylphenyl)methylamino]-3-methylbutanoate
CID 63327146
N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 114177673
2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115636004
N-(4-bromobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 83180515
methyl (2S)-2-[(5-amino-2-hydroxybenzenecarbothioyl)amino]-3-methylbutanoate
CID 178029871

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate (CID 43386291) is methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1cc(C)ccc1O)C(C)C.
What is the InChIKey of methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate?
The InChIKey is NELFEAXAESVHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8(2)12(14(18)19-4)15-13(17)10-7-9(3)5-6-11(10)16/h5-8,12,16H,1-4H3,(H,15,17).
What are the key properties of methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate?
methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate has a molecular weight of 265.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 43386291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).