(2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate

C19H20NO5- — CID 2334236

IUPAC(2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate
SMILESCC(C)[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)[O-]
InChIInChI=1S/C19H21NO5/c1-13(2)18(19(22)23)20-17(21)12-24-14-8-10-16(11-9-14)25-15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3,(H,20,21)(H,22,23)/p-1/t18-/m0/s1
InChIKeyJCYBPZRWDCQBJT-SFHVURJKSA-M
MW342.37 g/mol
LogP1.75
Rot. Bonds8

About (2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate

(2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate (PubChem CID 2334236) has the molecular formula C19H20NO5- and a molecular weight of 342.37 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate
PubChem CID2334236
Molecular FormulaC19H20NO5-
Molecular Weight342.37 g/mol
Exact Mass342.13
IUPAC Name(2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate
SMILESCC(C)[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)[O-]
InChIInChI=1S/C19H21NO5/c1-13(2)18(19(22)23)20-17(21)12-24-14-8-10-16(11-9-14)25-15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3,(H,20,21)(H,22,23)/p-1/t18-/m0/s1
InChIKeyJCYBPZRWDCQBJT-SFHVURJKSA-M
XLogP1.75
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoic acid
CID 3630383
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
(2S)-3-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate
CID 9157397
(2S)-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 9157139
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
(2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119359613
(2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate
CID 9157229
(2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate
CID 2333588
[2-(2-acetylhydrazinyl)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 8848578
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide
CID 55944631
(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 9157390
(2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid
CID 9157303

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate?
The IUPAC name of (2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate (CID 2334236) is (2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate.
What is the SMILES notation for (2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate?
The canonical SMILES for (2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate is CC(C)[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)[O-].
What is the InChIKey of (2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate?
The InChIKey is JCYBPZRWDCQBJT-SFHVURJKSA-M. The full InChI is InChI=1S/C19H21NO5/c1-13(2)18(19(22)23)20-17(21)12-24-14-8-10-16(11-9-14)25-15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3,(H,20,21)(H,22,23)/p-1/t18-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate?
(2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate has a molecular weight of 342.37 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[2-(4-phenoxyphenoxy)acetyl]amino]butanoate is sourced from PubChem (CID 2334236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).