3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid

C14H18N2O3 — CID 122014946

IUPAC3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid
SMILESC=Cc1ccc(CCNC(=O)NCCC(=O)O)cc1
InChIInChI=1S/C14H18N2O3/c1-2-11-3-5-12(6-4-11)7-9-15-14(19)16-10-8-13(17)18/h2-6H,1,7-10H2,(H,17,18)(H2,15,16,19)
InChIKeyVSCBLGXGXRKHIV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.65
Rot. Bonds7

About 3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid

3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid (PubChem CID 122014946) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid
PubChem CID122014946
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid
SMILESC=Cc1ccc(CCNC(=O)NCCC(=O)O)cc1
InChIInChI=1S/C14H18N2O3/c1-2-11-3-5-12(6-4-11)7-9-15-14(19)16-10-8-13(17)18/h2-6H,1,7-10H2,(H,17,18)(H2,15,16,19)
InChIKeyVSCBLGXGXRKHIV-UHFFFAOYSA-N
XLogP1.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea
CID 167969216
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CID 122000469
6-[2-(4-fluorophenyl)ethylcarbamoylamino]hexanoic acid
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2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid
CID 61236394
1-[2-(4-bromophenyl)ethyl]-3-ethenylurea
CID 108909361
5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid
CID 28931773
1-(4-ethenylphenyl)pentan-3-one
CID 20804902
3-[(2,2-dimethyl-5-phenylpentyl)carbamoylamino]propanoic acid
CID 122002181
2-(4-ethenylphenyl)-N-ethylethanamine
CID 20507043
N-[(4-ethenylphenyl)methyl]-3-hydroxybut-3-enamide
CID 59550018
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
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CID 94693925

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid (CID 122014946) is 3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid is C=Cc1ccc(CCNC(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid?
The InChIKey is VSCBLGXGXRKHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-11-3-5-12(6-4-11)7-9-15-14(19)16-10-8-13(17)18/h2-6H,1,7-10H2,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid?
3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 122014946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).