(2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid

C7H9NO3 — CID 19606700

IUPAC(2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid
SMILESC=CC/C(=C/C(N)=O)C(=O)O
InChIInChI=1S/C7H9NO3/c1-2-3-5(7(10)11)4-6(8)9/h2,4H,1,3H2,(H2,8,9)(H,10,11)/b5-4-
InChIKeyWIKQIRPPRWWVTR-PLNGDYQASA-N
MW155.15 g/mol
LogP0.06
Rot. Bonds4

About (2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid

(2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid (PubChem CID 19606700) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid.

Molecular Properties

Compound Name(2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid
PubChem CID19606700
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid
SMILESC=CC/C(=C/C(N)=O)C(=O)O
InChIInChI=1S/C7H9NO3/c1-2-3-5(7(10)11)4-6(8)9/h2,4H,1,3H2,(H2,8,9)(H,10,11)/b5-4-
InChIKeyWIKQIRPPRWWVTR-PLNGDYQASA-N
XLogP0.06
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid?
The IUPAC name of (2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid (CID 19606700) is (2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid.
What is the SMILES notation for (2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid?
The canonical SMILES for (2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid is C=CC/C(=C/C(N)=O)C(=O)O.
What is the InChIKey of (2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid?
The InChIKey is WIKQIRPPRWWVTR-PLNGDYQASA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-3-5(7(10)11)4-6(8)9/h2,4H,1,3H2,(H2,8,9)(H,10,11)/b5-4-.
What are the key properties of (2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid?
(2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid has a molecular weight of 155.15 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-amino-2-oxoethylidene)pent-4-enoic acid is sourced from PubChem (CID 19606700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).