(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid

C19H21NO5 — CID 95066415

IUPAC(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
SMILESCCOc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H21NO5/c1-2-24-15-8-10-16(11-9-15)25-13-18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,20,21)(H,22,23)/t17-/m0/s1
InChIKeyJRMQDYPIYXWWBM-KRWDZBQOSA-N
MW343.38 g/mol
LogP2.28
Rot. Bonds9

About (2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid

(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 95066415) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
PubChem CID95066415
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
SMILESCCOc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H21NO5/c1-2-24-15-8-10-16(11-9-15)25-13-18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,20,21)(H,22,23)/t17-/m0/s1
InChIKeyJRMQDYPIYXWWBM-KRWDZBQOSA-N
XLogP2.28
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
CID 699216
2-[[2-(4-acetyloxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 23218299
(2R)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822845
(2S)-3-(4-ethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 10736143
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950524
methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate
CID 110493570
2-(4-acetylphenoxy)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7763916
2-[(2-methoxyacetyl)amino]-3-phenylpropanoic acid
CID 16774532
ethyl 2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]-3-phenylpropanoate
CID 48680471
2-(4-fluorophenoxy)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7818065
2-benzyl-3-[[2-(4-ethoxyphenoxy)acetyl]amino]propanoic acid
CID 119233936
N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 71601395

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid (CID 95066415) is (2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid is CCOc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1.
What is the InChIKey of (2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is JRMQDYPIYXWWBM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO5/c1-2-24-15-8-10-16(11-9-15)25-13-18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,20,21)(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid?
(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 343.38 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 95066415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).