(2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid

C14H19NO5 — CID 107822772

IUPAC(2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
SMILESCOc1cc(CC(=O)N[C@H](CCO)C(=O)O)ccc1C
InChIInChI=1S/C14H19NO5/c1-9-3-4-10(7-12(9)20-2)8-13(17)15-11(5-6-16)14(18)19/h3-4,7,11,16H,5-6,8H2,1-2H3,(H,15,17)(H,18,19)/t11-/m1/s1
InChIKeyZBQSSSJVGDKEFN-LLVKDONJSA-N
MW281.31 g/mol
LogP0.50
Rot. Bonds7

About (2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid

(2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid (PubChem CID 107822772) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
PubChem CID107822772
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
SMILESCOc1cc(CC(=O)N[C@H](CCO)C(=O)O)ccc1C
InChIInChI=1S/C14H19NO5/c1-9-3-4-10(7-12(9)20-2)8-13(17)15-11(5-6-16)14(18)19/h3-4,7,11,16H,5-6,8H2,1-2H3,(H,15,17)(H,18,19)/t11-/m1/s1
InChIKeyZBQSSSJVGDKEFN-LLVKDONJSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-amino-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 63715216
N-(4-hydroxy-1-methoxybutan-2-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 103799381
(2S)-2-acetamido-3-(3-methoxy-4-methylphenyl)propanoic acid
CID 57012608
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]pentanedioic acid
CID 61142501
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821775
(2R)-2-[[2-(4-aminophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107825228
(2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid
CID 107564593
(2S)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821893
(2R)-2-[[2-(4-acetamidophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822994
(2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107822898
(2S)-4-hydroxy-2-[[2-(2-methylphenoxy)acetyl]amino]butanoic acid
CID 114004863
3-cyclopropyl-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 81368722

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid (CID 107822772) is (2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid is COc1cc(CC(=O)N[C@H](CCO)C(=O)O)ccc1C.
What is the InChIKey of (2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid?
The InChIKey is ZBQSSSJVGDKEFN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO5/c1-9-3-4-10(7-12(9)20-2)8-13(17)15-11(5-6-16)14(18)19/h3-4,7,11,16H,5-6,8H2,1-2H3,(H,15,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid?
(2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 107822772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).