3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid

C16H21NO5 — CID 75383603

IUPAC3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid
SMILESCOCCN(CCC(=O)O)C(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C16H21NO5/c1-22-12-11-17(10-9-16(20)21)15(19)8-7-14(18)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,20,21)
InChIKeyPJUZVGVZHYFXEC-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.60
Rot. Bonds10

About 3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid

3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid (PubChem CID 75383603) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid
PubChem CID75383603
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid
SMILESCOCCN(CCC(=O)O)C(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C16H21NO5/c1-22-12-11-17(10-9-16(20)21)15(19)8-7-14(18)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,20,21)
InChIKeyPJUZVGVZHYFXEC-UHFFFAOYSA-N
XLogP1.60
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-phenylpropan-1-one
CID 10942788
N,N-dibutyl-4-oxo-4-phenylbutanamide
CID 10684868
3-[benzoyl(3-methoxypropyl)amino]propanoic acid
CID 82324502
N,N-diethyl-4-oxo-4-phenylbutanamide
CID 10399096
2-[2-methoxyethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
CID 119189540
2-[bis(2-methoxyethyl)amino]-1-phenylethanone
CID 60649797
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
3-[2-methoxyethyl(2-methylpropyl)amino]-1-phenylpropan-1-one
CID 62612759
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide
CID 55587760
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 78781446

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid?
The IUPAC name of 3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid (CID 75383603) is 3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid?
The canonical SMILES for 3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid is COCCN(CCC(=O)O)C(=O)CCC(=O)c1ccccc1.
What is the InChIKey of 3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid?
The InChIKey is PJUZVGVZHYFXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-22-12-11-17(10-9-16(20)21)15(19)8-7-14(18)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,20,21).
What are the key properties of 3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid?
3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid has a molecular weight of 307.35 g/mol, XLogP of 1.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid is sourced from PubChem (CID 75383603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).