methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate

C14H19NO5 — CID 43386285

IUPACmethyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cccc(OC)c1O)C(C)C
InChIInChI=1S/C14H19NO5/c1-8(2)11(14(18)20-4)15-13(17)9-6-5-7-10(19-3)12(9)16/h5-8,11,16H,1-4H3,(H,15,17)
InChIKeyWAPSGOBQEBDTQX-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.33
Rot. Bonds5

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

methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate (PubChem CID 43386285) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate
PubChem CID43386285
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cccc(OC)c1O)C(C)C
InChIInChI=1S/C14H19NO5/c1-8(2)11(14(18)20-4)15-13(17)9-6-5-7-10(19-3)12(9)16/h5-8,11,16H,1-4H3,(H,15,17)
InChIKeyWAPSGOBQEBDTQX-UHFFFAOYSA-N
XLogP1.33
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 24697724
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 115622767
methyl 2-[(2-hydroxybenzoyl)amino]-3-methylbutanoate
CID 43386280
2-hydroxy-3-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 60653927
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 63755983
methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate
CID 124596647
N-heptan-2-yl-2-hydroxy-3-methoxybenzamide
CID 60653869
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8847927
N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
CID 63753586
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 61121088
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2,3-dihydroxybenzamide
CID 103187229

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate (CID 43386285) is methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1cccc(OC)c1O)C(C)C.
What is the InChIKey of methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate?
The InChIKey is WAPSGOBQEBDTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-8(2)11(14(18)20-4)15-13(17)9-6-5-7-10(19-3)12(9)16/h5-8,11,16H,1-4H3,(H,15,17).
What are the key properties of methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate?
methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate has a molecular weight of 281.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 43386285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).