2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid

C14H19NO4 — CID 22042507

IUPAC2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid
SMILESCOC(=O)C(CCc1ccccc1)NC(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-10(13(16)17)15-12(14(18)19-2)9-8-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyHUNRUXGZJNTAJK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.22
Rot. Bonds7

About 2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid

2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid (PubChem CID 22042507) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid
PubChem CID22042507
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid
SMILESCOC(=O)C(CCc1ccccc1)NC(C)C(=O)O
InChIInChI=1S/C14H19NO4/c1-10(13(16)17)15-12(14(18)19-2)9-8-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyHUNRUXGZJNTAJK-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

Analyze 2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid with MolForge

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Related Compounds

ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707
methyl (2S)-2-(chloroamino)-4-phenylbutanoate
CID 121299211
2-amino-4-methylpentanoic acid;(2S)-2-[[(1R)-1-carboxyethyl]amino]-4-phenylbutanoic acid
CID 21311205
3-(1-carboxyethylamino)-2-methyl-5-phenylpentanoic acid
CID 21277688
ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate
CID 13345970
2-[[(2S)-1-chloro-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid
CID 87484460
2-methyl-4-phenylbutanoic acid
CID 66896591
(2S)-2-[[1-ethoxy-4-(4-ethoxycarbonylphenyl)-1-oxobutan-2-yl]amino]propanoic acid
CID 57189999
2-[[(2S)-1-chloro-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid;hydrochloride
CID 87484459
4-methoxycarbonyl-2-methyl-6-phenylhexanoic acid
CID 20548321
2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid
CID 14036499
methyl (2S)-1-[(2S)-2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylate
CID 70538193

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid (CID 22042507) is 2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid is COC(=O)C(CCc1ccccc1)NC(C)C(=O)O.
What is the InChIKey of 2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid?
The InChIKey is HUNRUXGZJNTAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(13(16)17)15-12(14(18)19-2)9-8-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(1-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid?
2-[(1-methoxy-1-oxo-4-phenylbutan-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-methoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid is sourced from PubChem (CID 22042507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).