4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid

C15H21NO4 — CID 62589345

IUPAC4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid
SMILESCCOCCC(=O)NC(CCC(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-2-20-11-10-14(17)16-13(8-9-15(18)19)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyFGVNRZOBGBFNEW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.14
Rot. Bonds9

About 4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid

4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid (PubChem CID 62589345) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid
PubChem CID62589345
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid
SMILESCCOCCC(=O)NC(CCC(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-2-20-11-10-14(17)16-13(8-9-15(18)19)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyFGVNRZOBGBFNEW-UHFFFAOYSA-N
XLogP2.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid
CID 60825345
N-(1,4-diphenylbutyl)-3-ethoxypropanamide
CID 56502280
4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid
CID 119201300
4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-4-phenylbutanoic acid
CID 119201158
4-[3-(4-ethoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119200943
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871
methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693
4-phenyl-4-[[(2S)-2-phenylpropanoyl]amino]butanoic acid
CID 120686337
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
4-(2-methylbutanoylamino)-4-phenylbutanoic acid
CID 60825193
3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7372940
4-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-phenylbutanoic acid
CID 119201409

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid?
The IUPAC name of 4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid (CID 62589345) is 4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid.
What is the SMILES notation for 4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid?
The canonical SMILES for 4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid is CCOCCC(=O)NC(CCC(=O)O)c1ccccc1.
What is the InChIKey of 4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid?
The InChIKey is FGVNRZOBGBFNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-20-11-10-14(17)16-13(8-9-15(18)19)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid?
4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid is sourced from PubChem (CID 62589345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).