3-[butanoyl(2-phenylethyl)amino]propanoic acid

C15H21NO3 — CID 82323377

IUPAC3-[butanoyl(2-phenylethyl)amino]propanoic acid
SMILESCCCC(=O)N(CCC(=O)O)CCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-2-6-14(17)16(12-10-15(18)19)11-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19)
InChIKeyCYZBEWVEHLVESG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.33
Rot. Bonds8

About 3-[butanoyl(2-phenylethyl)amino]propanoic acid

3-[butanoyl(2-phenylethyl)amino]propanoic acid (PubChem CID 82323377) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[butanoyl(2-phenylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[butanoyl(2-phenylethyl)amino]propanoic acid
PubChem CID82323377
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[butanoyl(2-phenylethyl)amino]propanoic acid
SMILESCCCC(=O)N(CCC(=O)O)CCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-2-6-14(17)16(12-10-15(18)19)11-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19)
InChIKeyCYZBEWVEHLVESG-UHFFFAOYSA-N
XLogP2.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043
5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421
butanoic acid;N,N-dimethyl-2-phenylethanamine
CID 174426919
methyl 3-[dodecanoyl(2-phenylethyl)amino]propanoate
CID 42702284
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794
3-[pentyl-(2-phenylacetyl)amino]propanoic acid
CID 82325109
3-(2-phenylethylamino)-N,N-dipropylpropanamide
CID 109024274
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
N,N-dihexyl-3-phenylpropanamide
CID 532921
ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
CID 20621418

Frequently Asked Questions

What is the IUPAC name of 3-[butanoyl(2-phenylethyl)amino]propanoic acid?
The IUPAC name of 3-[butanoyl(2-phenylethyl)amino]propanoic acid (CID 82323377) is 3-[butanoyl(2-phenylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[butanoyl(2-phenylethyl)amino]propanoic acid?
The canonical SMILES for 3-[butanoyl(2-phenylethyl)amino]propanoic acid is CCCC(=O)N(CCC(=O)O)CCc1ccccc1.
What is the InChIKey of 3-[butanoyl(2-phenylethyl)amino]propanoic acid?
The InChIKey is CYZBEWVEHLVESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-6-14(17)16(12-10-15(18)19)11-9-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19).
What are the key properties of 3-[butanoyl(2-phenylethyl)amino]propanoic acid?
3-[butanoyl(2-phenylethyl)amino]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butanoyl(2-phenylethyl)amino]propanoic acid is sourced from PubChem (CID 82323377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).