2-aminopenta-2,3-dienoic acid

C5H7NO2 — CID 176526137

IUPAC2-aminopenta-2,3-dienoic acid
SMILESCC=C=C(N)C(=O)O
InChIInChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h2H,6H2,1H3,(H,7,8)
InChIKeyUTWWPFKTKSBOKE-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.09
Rot. Bonds1

About 2-aminopenta-2,3-dienoic acid

2-aminopenta-2,3-dienoic acid (PubChem CID 176526137) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-aminopenta-2,3-dienoic acid.

Molecular Properties

Compound Name2-aminopenta-2,3-dienoic acid
PubChem CID176526137
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name2-aminopenta-2,3-dienoic acid
SMILESCC=C=C(N)C(=O)O
InChIInChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h2H,6H2,1H3,(H,7,8)
InChIKeyUTWWPFKTKSBOKE-UHFFFAOYSA-N
XLogP0.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.09
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-methylpenta-2,3-dienoic acid;phosphoric acid
CID 176527100
but-2-en-2-ol;urea
CID 173334764
methanol;urea
CID 174800234
2-hydroxybut-2-enamide;hydrochloride
CID 177282590
but-2-ene;hydrazinecarboxylic acid
CID 174628271
2-ethylidenepropanedioic acid
CID 15930801
3-ethenylhexa-3,4-dienoic acid
CID 89179063
2-prop-1-enylideneoct-7-ynoic acid
CID 10845046
(2E,5Z)-2-[(E)-1-aminoprop-1-enyl]-4-methylidenedeca-2,5,7,8-tetraenoic acid
CID 176531923
(E)-prop-1-en-1-ol;urea
CID 87083567
1-iodoprop-1-en-1-amine
CID 141312363
carbonic acid;oxamic acid
CID 87882042

Frequently Asked Questions

What is the IUPAC name of 2-aminopenta-2,3-dienoic acid?
The IUPAC name of 2-aminopenta-2,3-dienoic acid (CID 176526137) is 2-aminopenta-2,3-dienoic acid.
What is the SMILES notation for 2-aminopenta-2,3-dienoic acid?
The canonical SMILES for 2-aminopenta-2,3-dienoic acid is CC=C=C(N)C(=O)O.
What is the InChIKey of 2-aminopenta-2,3-dienoic acid?
The InChIKey is UTWWPFKTKSBOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h2H,6H2,1H3,(H,7,8).
What are the key properties of 2-aminopenta-2,3-dienoic acid?
2-aminopenta-2,3-dienoic acid has a molecular weight of 113.12 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopenta-2,3-dienoic acid is sourced from PubChem (CID 176526137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).