2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid

C15H22N2O4 — CID 81084032

IUPAC2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)CC(N)c1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-21-9-5-8-13(15(19)20)17-14(18)10-12(16)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyWVIUFMAKGXIXDC-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.07
Rot. Bonds9

About 2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid

2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid (PubChem CID 81084032) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid
PubChem CID81084032
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)CC(N)c1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-21-9-5-8-13(15(19)20)17-14(18)10-12(16)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyWVIUFMAKGXIXDC-UHFFFAOYSA-N
XLogP1.07
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid
CID 62478473
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869978
5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 81085334
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-phenylpropanamide
CID 106161030
2-(4-aminopentanoylamino)-5-methoxypentanoic acid
CID 81077924
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-4-methylpentanoate
CID 43704276
5-methoxy-2-(3-methylpentanoylamino)pentanoic acid
CID 114873817
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
5-methoxy-2-(3,4,4-trimethylpentanoylamino)pentanoic acid
CID 81076582
3-amino-N-[3-(2-methoxyethoxy)propyl]-3-phenylpropanamide
CID 61275597

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid (CID 81084032) is 2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid is COCCCC(NC(=O)CC(N)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid?
The InChIKey is WVIUFMAKGXIXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-21-9-5-8-13(15(19)20)17-14(18)10-12(16)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid?
2-[(3-amino-3-phenylpropanoyl)amino]-5-methoxypentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.07, 9 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]-5-methoxypentanoic acid is sourced from PubChem (CID 81084032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).