(2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid

C19H21NO4 — CID 9157386

IUPAC(2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C19H21NO4/c1-13(2)18(19(22)23)20-17(21)12-24-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3,(H,20,21)(H,22,23)/t18-/m1/s1
InChIKeyZDWPUGIQVOPVRI-GOSISDBHSA-N
MW327.38 g/mol
LogP2.96
Rot. Bonds7

About (2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid

(2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid (PubChem CID 9157386) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid
PubChem CID9157386
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C19H21NO4/c1-13(2)18(19(22)23)20-17(21)12-24-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3,(H,20,21)(H,22,23)/t18-/m1/s1
InChIKeyZDWPUGIQVOPVRI-GOSISDBHSA-N
XLogP2.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326
N-(1-methoxypropan-2-yl)-2-(2-phenylphenoxy)acetamide
CID 18166557
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-phenylphenoxy)acetamide
CID 7948811
[(2S,3S)-3-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]urea
CID 7613261
2-[[2-(3-chloro-2-methylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119170393
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 4940008
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-phenylphenoxy)acetamide
CID 7936643
3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoic acid
CID 3630383
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 43238739

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid (CID 9157386) is (2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid is CC(C)[C@@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid?
The InChIKey is ZDWPUGIQVOPVRI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(2)18(19(22)23)20-17(21)12-24-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3,(H,20,21)(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid?
(2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[2-(2-phenylphenoxy)acetyl]amino]butanoic acid is sourced from PubChem (CID 9157386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).