2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid

C14H20N2O4 — CID 62478473

IUPAC2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)CC(N)c1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-20-8-7-12(14(18)19)16-13(17)9-11(15)10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyDCWMJZUYPRRCSG-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.68
Rot. Bonds8

About 2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid

2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid (PubChem CID 62478473) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid
PubChem CID62478473
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)CC(N)c1ccccc1)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-20-8-7-12(14(18)19)16-13(17)9-11(15)10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyDCWMJZUYPRRCSG-UHFFFAOYSA-N
XLogP0.68
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid
CID 81084032
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869978
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-phenylpropanamide
CID 106161030
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-4-methylpentanoate
CID 43704276
4-methoxy-2-(2-phenylbutanoylamino)butanoic acid
CID 62478750
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
2-[3-(4-ethylphenyl)butanoylamino]-4-methoxybutanoic acid
CID 120702328
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 79010019
2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 61157521
2-[(4-amino-4-phenylbutanoyl)amino]pentanoic acid
CID 63323773
4-methoxy-2-(3-phenylmethoxypropanoylamino)butanoic acid
CID 120702080
4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid
CID 62478643

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid (CID 62478473) is 2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)CC(N)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid?
The InChIKey is DCWMJZUYPRRCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-20-8-7-12(14(18)19)16-13(17)9-11(15)10-5-3-2-4-6-10/h2-6,11-12H,7-9,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid?
2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62478473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).