3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid

C14H19NO5 — CID 66001117

IUPAC3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
SMILESCOc1ccc(CC(=O)NCC(C)(O)CC(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-14(19,8-13(17)18)9-15-12(16)7-10-3-5-11(20-2)6-4-10/h3-6,19H,7-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWRUANPYDVIGCAI-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.58
Rot. Bonds7

About 3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid

3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid (PubChem CID 66001117) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
PubChem CID66001117
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
SMILESCOc1ccc(CC(=O)NCC(C)(O)CC(=O)O)cc1
InChIInChI=1S/C14H19NO5/c1-14(19,8-13(17)18)9-15-12(16)7-10-3-5-11(20-2)6-4-10/h3-6,19H,7-9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWRUANPYDVIGCAI-UHFFFAOYSA-N
XLogP0.58
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 66001139
3-hydroxy-3-methyl-4-[[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 66000943
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
CID 65109847
4-[[2-(4-chlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001714
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982952
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
2-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782018
2-(4-ethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782036
2-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 90498248
4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001318
N-(4-bromo-2,2-dimethylbutyl)-2-(4-methoxyphenyl)acetamide
CID 114149390
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid (CID 66001117) is 3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid is COc1ccc(CC(=O)NCC(C)(O)CC(=O)O)cc1.
What is the InChIKey of 3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid?
The InChIKey is WRUANPYDVIGCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(19,8-13(17)18)9-15-12(16)7-10-3-5-11(20-2)6-4-10/h3-6,19H,7-9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid?
3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 66001117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).