3-(ethenylamino)prop-2-enoic acid

C5H7NO2 — CID 87774875

IUPAC3-(ethenylamino)prop-2-enoic acid
SMILESC=CNC=CC(=O)O
InChIInChI=1S/C5H7NO2/c1-2-6-4-3-5(7)8/h2-4,6H,1H2,(H,7,8)
InChIKeyXDGKRIQURCBXSW-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.32
Rot. Bonds3

About 3-(ethenylamino)prop-2-enoic acid

3-(ethenylamino)prop-2-enoic acid (PubChem CID 87774875) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 3-(ethenylamino)prop-2-enoic acid.

Molecular Properties

Compound Name3-(ethenylamino)prop-2-enoic acid
PubChem CID87774875
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name3-(ethenylamino)prop-2-enoic acid
SMILESC=CNC=CC(=O)O
InChIInChI=1S/C5H7NO2/c1-2-6-4-3-5(7)8/h2-4,6H,1H2,(H,7,8)
InChIKeyXDGKRIQURCBXSW-UHFFFAOYSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.32
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

(E)-but-2-enedioic acid;ethenoxyethene
CID 87702747
3-(carboxyamino)prop-2-enoic acid
CID 71398127
(E)-but-2-enedioic acid;formaldehyde
CID 88669172
(E)-3-(but-3-en-2-ylamino)prop-2-enoic acid
CID 103264943
(Z)-but-2-enedioic acid;ethene;ethenoxyethene
CID 173139287
2-methylprop-2-enoic acid;3-(prop-2-enoylamino)prop-2-enoic acid
CID 88514689
(Z)-but-2-enedioic acid;ethene;manganese
CID 54606396
sodium;(Z)-but-2-enedioic acid;ethene
CID 54602803
calcium;(Z)-but-2-enedioic acid;hydride;prop-2-enoic acid
CID 175078165
(E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid
CID 103265682
(Z)-but-2-enedioic acid;silver
CID 11002022
(Z)-but-2-enedioic acid;neodymium
CID 87072249

Frequently Asked Questions

What is the IUPAC name of 3-(ethenylamino)prop-2-enoic acid?
The IUPAC name of 3-(ethenylamino)prop-2-enoic acid (CID 87774875) is 3-(ethenylamino)prop-2-enoic acid.
What is the SMILES notation for 3-(ethenylamino)prop-2-enoic acid?
The canonical SMILES for 3-(ethenylamino)prop-2-enoic acid is C=CNC=CC(=O)O.
What is the InChIKey of 3-(ethenylamino)prop-2-enoic acid?
The InChIKey is XDGKRIQURCBXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-2-6-4-3-5(7)8/h2-4,6H,1H2,(H,7,8).
What are the key properties of 3-(ethenylamino)prop-2-enoic acid?
3-(ethenylamino)prop-2-enoic acid has a molecular weight of 113.12 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethenylamino)prop-2-enoic acid is sourced from PubChem (CID 87774875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).