2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid

C14H19NO4 — CID 14036499

IUPAC2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid
SMILESCCOC(=O)C(Cc1ccccc1)NC(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-19-14(18)12(15-10(2)13(16)17)9-11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3,(H,16,17)
InChIKeyGIGOUBVZXXUDSJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.22
Rot. Bonds7

About 2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid

2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid (PubChem CID 14036499) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid
PubChem CID14036499
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid
SMILESCCOC(=O)C(Cc1ccccc1)NC(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-19-14(18)12(15-10(2)13(16)17)9-11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3,(H,16,17)
InChIKeyGIGOUBVZXXUDSJ-UHFFFAOYSA-N
XLogP1.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[3-(4-aminophenyl)-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid
CID 57325176
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
(2S)-2-[[(2R)-3-benzylsulfanyl-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid
CID 70386467
3-phenyl-2-[[(2S)-1,1,1-trideuterio-3-ethoxy-3-oxopropan-2-yl]amino]propanoic acid
CID 164810275
ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
butyl 3-phenyl-2-(propan-2-ylamino)propanoate
CID 146262940
ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate
CID 18692564
ethyl 2-(1-phenylbutan-2-ylamino)propanoate
CID 79008142
2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid
CID 22042507
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid (CID 14036499) is 2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid is CCOC(=O)C(Cc1ccccc1)NC(C)C(=O)O.
What is the InChIKey of 2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid?
The InChIKey is GIGOUBVZXXUDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-19-14(18)12(15-10(2)13(16)17)9-11-7-5-4-6-8-11/h4-8,10,12,15H,3,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid?
2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid is sourced from PubChem (CID 14036499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).