4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid

C14H19NO6 — CID 66001318

IUPAC4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCOc1cc(OC)cc(C(=O)NCC(C)(O)CC(=O)O)c1
InChIInChI=1S/C14H19NO6/c1-14(19,7-12(16)17)8-15-13(18)9-4-10(20-2)6-11(5-9)21-3/h4-6,19H,7-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyHMJDROXMHZFHPN-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.66
Rot. Bonds7

About 4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid

4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66001318) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66001318
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCOc1cc(OC)cc(C(=O)NCC(C)(O)CC(=O)O)c1
InChIInChI=1S/C14H19NO6/c1-14(19,7-12(16)17)8-15-13(18)9-4-10(20-2)6-11(5-9)21-3/h4-6,19H,7-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyHMJDROXMHZFHPN-UHFFFAOYSA-N
XLogP0.66
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 66001117
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
3-hydroxy-3-methyl-4-[(3-propoxybenzoyl)amino]butanoic acid
CID 66001127
3-amino-N-(2-hydroxy-2,4-dimethylpentyl)-5-methoxybenzamide
CID 81091867
4-[(4-fluorobenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66000907
4-[(4-carbamoylbenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66003486
3-hydroxy-4-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 66001346
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
CID 114039659
3-hydroxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 66001139
3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167276
3-hydroxy-3-methyl-4-(thiophene-3-carbonylamino)butanoic acid
CID 66000914

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid (CID 66001318) is 4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid is COc1cc(OC)cc(C(=O)NCC(C)(O)CC(=O)O)c1.
What is the InChIKey of 4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is HMJDROXMHZFHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-14(19,7-12(16)17)8-15-13(18)9-4-10(20-2)6-11(5-9)21-3/h4-6,19H,7-8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid?
4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66001318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).