2-[3-(4-ethylphenyl)butanoylamino]propanoic acid

C15H21NO3 — CID 119349149

IUPAC2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
SMILESCCc1ccc(C(C)CC(=O)NC(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-4-12-5-7-13(8-6-12)10(2)9-14(17)16-11(3)15(18)19/h5-8,10-11H,4,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyBJEIOUWPBSNNNE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.33
Rot. Bonds6

About 2-[3-(4-ethylphenyl)butanoylamino]propanoic acid

2-[3-(4-ethylphenyl)butanoylamino]propanoic acid (PubChem CID 119349149) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)butanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
PubChem CID119349149
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
SMILESCCc1ccc(C(C)CC(=O)NC(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-4-12-5-7-13(8-6-12)10(2)9-14(17)16-11(3)15(18)19/h5-8,10-11H,4,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyBJEIOUWPBSNNNE-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[3-(4-ethylphenyl)butanoylamino]propanoic acid
CID 119942975
(2R)-2-[3-(4-fluorophenyl)butanoylamino]propanoic acid
CID 119244525
2-[3-(4-ethylphenyl)butanoylamino]-4-methoxybutanoic acid
CID 120702328
N-(2-amino-1-cyclopropylethyl)-3-(4-ethylphenyl)butanamide;hydrochloride
CID 119613872
2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
N-[1-(4-ethylphenyl)ethyl]-3,3-diphenylpropanamide
CID 17326867
2-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119225866
N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride
CID 119495877
(2S)-2-(3-phenylpentanoylamino)propanoic acid
CID 119238309
2-[3-(2,4-difluorophenyl)butanoylamino]propanoic acid
CID 120523631
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide
CID 119475429

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)butanoylamino]propanoic acid?
The IUPAC name of 2-[3-(4-ethylphenyl)butanoylamino]propanoic acid (CID 119349149) is 2-[3-(4-ethylphenyl)butanoylamino]propanoic acid.
What is the SMILES notation for 2-[3-(4-ethylphenyl)butanoylamino]propanoic acid?
The canonical SMILES for 2-[3-(4-ethylphenyl)butanoylamino]propanoic acid is CCc1ccc(C(C)CC(=O)NC(C)C(=O)O)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)butanoylamino]propanoic acid?
The InChIKey is BJEIOUWPBSNNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-12-5-7-13(8-6-12)10(2)9-14(17)16-11(3)15(18)19/h5-8,10-11H,4,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[3-(4-ethylphenyl)butanoylamino]propanoic acid?
2-[3-(4-ethylphenyl)butanoylamino]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)butanoylamino]propanoic acid is sourced from PubChem (CID 119349149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).