2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid

C14H19NO2 — CID 112514377

IUPAC2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(CC(NC2CC2)C(=O)O)cc1
InChIInChI=1S/C14H19NO2/c1-2-10-3-5-11(6-4-10)9-13(14(16)17)15-12-7-8-12/h3-6,12-13,15H,2,7-9H2,1H3,(H,16,17)
InChIKeyXWELCQCGSOZXOO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds6

About 2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid

2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid (PubChem CID 112514377) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid
PubChem CID112514377
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid
SMILESCCc1ccc(CC(NC2CC2)C(=O)O)cc1
InChIInChI=1S/C14H19NO2/c1-2-10-3-5-11(6-4-10)9-13(14(16)17)15-12-7-8-12/h3-6,12-13,15H,2,7-9H2,1H3,(H,16,17)
InChIKeyXWELCQCGSOZXOO-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 122037958
2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 18352519
(2S)-3-(4-ethylphenyl)-2-(2-propylhydrazinyl)propanoic acid
CID 67530887
methyl 3-(cyclopropylamino)-4-(4-ethylphenyl)-4-oxobutanoate
CID 82347728
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
(2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid
CID 122037860
(2R)-2-[[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]amino]-3-phenylpropanoic acid
CID 122037836
(2R)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 7088098
3-(cyclopropylamino)-4-[4-(2-methylpropyl)phenyl]-4-oxobutanoic acid
CID 82322826
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
2-(cyclopropylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 61187927
(2R)-2-[[1-(2,4-difluorophenyl)piperidin-4-yl]amino]-3-phenylpropanoic acid
CID 122037935

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid (CID 112514377) is 2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid is CCc1ccc(CC(NC2CC2)C(=O)O)cc1.
What is the InChIKey of 2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid?
The InChIKey is XWELCQCGSOZXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-10-3-5-11(6-4-10)9-13(14(16)17)15-12-7-8-12/h3-6,12-13,15H,2,7-9H2,1H3,(H,16,17).
What are the key properties of 2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid?
2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid is sourced from PubChem (CID 112514377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).