(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid

C8H11NO2 — CID 88874568

IUPAC(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid
SMILESC=C/C(N)=C(\C=C/C)C(=O)O
InChIInChI=1S/C8H11NO2/c1-3-5-6(8(10)11)7(9)4-2/h3-5H,2,9H2,1H3,(H,10,11)/b5-3-,7-6-
InChIKeyDHWHGGSLDAAZJA-VKLRWAGZSA-N
MW153.18 g/mol
LogP1.05
Rot. Bonds3

About (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid

(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid (PubChem CID 88874568) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid
PubChem CID88874568
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid
SMILESC=C/C(N)=C(\C=C/C)C(=O)O
InChIInChI=1S/C8H11NO2/c1-3-5-6(8(10)11)7(9)4-2/h3-5H,2,9H2,1H3,(H,10,11)/b5-3-,7-6-
InChIKeyDHWHGGSLDAAZJA-VKLRWAGZSA-N
XLogP1.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.05
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-[(Z)-prop-1-enyl]penta-2,4-dienoic acid?
The IUPAC name of (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid (CID 88874568) is (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid.
What is the SMILES notation for (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid?
The canonical SMILES for (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid is C=C/C(N)=C(\C=C/C)C(=O)O.
What is the InChIKey of (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid?
The InChIKey is DHWHGGSLDAAZJA-VKLRWAGZSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-5-6(8(10)11)7(9)4-2/h3-5H,2,9H2,1H3,(H,10,11)/b5-3-,7-6-.
What are the key properties of (2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid?
(2Z)-3-amino-2-[(Z)-prop-1-enyl]penta-2,4-dienoic acid has a molecular weight of 153.18 g/mol, XLogP of 1.05, 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-[(Z)-prop-1-enyl]penta-2,4-dienoic acid is sourced from PubChem (CID 88874568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).