3-[2-(ethylamino)phenyl]prop-2-enoic acid

C11H13NO2 — CID 68831256

IUPAC3-[2-(ethylamino)phenyl]prop-2-enoic acid
SMILESCCNc1ccccc1C=CC(=O)O
InChIInChI=1S/C11H13NO2/c1-2-12-10-6-4-3-5-9(10)7-8-11(13)14/h3-8,12H,2H2,1H3,(H,13,14)
InChIKeyHUADFUJYAICSPK-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.22
Rot. Bonds4

About 3-[2-(ethylamino)phenyl]prop-2-enoic acid

3-[2-(ethylamino)phenyl]prop-2-enoic acid (PubChem CID 68831256) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-[2-(ethylamino)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-(ethylamino)phenyl]prop-2-enoic acid
PubChem CID68831256
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-[2-(ethylamino)phenyl]prop-2-enoic acid
SMILESCCNc1ccccc1C=CC(=O)O
InChIInChI=1S/C11H13NO2/c1-2-12-10-6-4-3-5-9(10)7-8-11(13)14/h3-8,12H,2H2,1H3,(H,13,14)
InChIKeyHUADFUJYAICSPK-UHFFFAOYSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-Methylphenyl)amino]acetic acid
CID 242236
p-(Dimethylamino)cinnamic acid
CID 1540638
4-Acetamidocinnamic acid
CID 5357155
4-Oxo-4-{[2-(phenylethynyl)phenyl]amino}-2-butenoic acid
CID 1817719
(2E)-4-(biphenyl-2-ylamino)-4-oxobut-2-enoic acid
CID 869886
(E)-3-[4-(3-methylbut-2-enyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]prop-2-enoic acid
CID 135304537
4-Oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
CID 676337
3-[(2-Methylphenyl)amino]propanoic acid
CID 2435377
4-(Dimethylamino)cinnamic acid
CID 73778
(2Z)-3-[(4-hexylphenyl)carbamoyl]prop-2-enoic acid
CID 23635730
(Z)-4-[4-[4-(2-methylphenyl)piperazin-1-yl]anilino]-4-oxobut-2-enoic acid
CID 1820245
(2E,4E)-6-(3,5-di-tert-butylphenylamino)-3-methylhexa-2,4-dienoic acid
CID 44410535

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[2-(ethylamino)phenyl]prop-2-enoic acid (CID 68831256) is 3-[2-(ethylamino)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-(ethylamino)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[2-(ethylamino)phenyl]prop-2-enoic acid is CCNc1ccccc1C=CC(=O)O.
What is the InChIKey of 3-[2-(ethylamino)phenyl]prop-2-enoic acid?
The InChIKey is HUADFUJYAICSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-12-10-6-4-3-5-9(10)7-8-11(13)14/h3-8,12H,2H2,1H3,(H,13,14).
What are the key properties of 3-[2-(ethylamino)phenyl]prop-2-enoic acid?
3-[2-(ethylamino)phenyl]prop-2-enoic acid has a molecular weight of 191.23 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)phenyl]prop-2-enoic acid is sourced from PubChem (CID 68831256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).