(2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid

C16H23NO6 — CID 119368756

IUPAC(2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid
SMILESCOc1cc(CC(=O)N[C@@H](C(=O)O)C(C)C)cc(OC)c1OC
InChIInChI=1S/C16H23NO6/c1-9(2)14(16(19)20)17-13(18)8-10-6-11(21-3)15(23-5)12(7-10)22-4/h6-7,9,14H,8H2,1-5H3,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyZOKCMTUKCLDFGQ-CQSZACIVSA-N
MW325.36 g/mol
LogP1.48
Rot. Bonds8

About (2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid

(2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid (PubChem CID 119368756) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid
PubChem CID119368756
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name(2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid
SMILESCOc1cc(CC(=O)N[C@@H](C(=O)O)C(C)C)cc(OC)c1OC
InChIInChI=1S/C16H23NO6/c1-9(2)14(16(19)20)17-13(18)8-10-6-11(21-3)15(23-5)12(7-10)22-4/h6-7,9,14H,8H2,1-5H3,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyZOKCMTUKCLDFGQ-CQSZACIVSA-N
XLogP1.48
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]propanoic acid
CID 119237458
2-[[2-(3,4-dimethylphenyl)acetyl]amino]-3-methylbutanoic acid
CID 60657023
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7948779
2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
CID 23739276
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7719228
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7719229
methyl 3-methyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]butanoate
CID 3741090
(2S)-2-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-3-methylbutanoic acid
CID 61137171
(2R)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 28934153
N-ethoxy-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168994
(2R)-3-methyl-2-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid
CID 119369042
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid (CID 119368756) is (2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid is COc1cc(CC(=O)N[C@@H](C(=O)O)C(C)C)cc(OC)c1OC.
What is the InChIKey of (2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid?
The InChIKey is ZOKCMTUKCLDFGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23NO6/c1-9(2)14(16(19)20)17-13(18)8-10-6-11(21-3)15(23-5)12(7-10)22-4/h6-7,9,14H,8H2,1-5H3,(H,17,18)(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid?
(2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid has a molecular weight of 325.36 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 119368756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).