(2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid

C7H9NO2 — CID 138510669

IUPAC(2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid
SMILESC=C/C(N)=C(\C=C)C(=O)O
InChIInChI=1S/C7H9NO2/c1-3-5(7(9)10)6(8)4-2/h3-4H,1-2,8H2,(H,9,10)/b6-5-
InChIKeyAPQQWQPWPHETAC-WAYWQWQTSA-N
MW139.15 g/mol
LogP0.66
Rot. Bonds3

About (2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid

(2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid (PubChem CID 138510669) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid
PubChem CID138510669
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid
SMILESC=C/C(N)=C(\C=C)C(=O)O
InChIInChI=1S/C7H9NO2/c1-3-5(7(9)10)6(8)4-2/h3-4H,1-2,8H2,(H,9,10)/b6-5-
InChIKeyAPQQWQPWPHETAC-WAYWQWQTSA-N
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid?
The IUPAC name of (2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid (CID 138510669) is (2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid.
What is the SMILES notation for (2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid?
The canonical SMILES for (2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid is C=C/C(N)=C(\C=C)C(=O)O.
What is the InChIKey of (2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid?
The InChIKey is APQQWQPWPHETAC-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-5(7(9)10)6(8)4-2/h3-4H,1-2,8H2,(H,9,10)/b6-5-.
What are the key properties of (2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid?
(2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid has a molecular weight of 139.15 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-amino-2-ethenylpenta-2,4-dienoic acid is sourced from PubChem (CID 138510669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).