5-amino-2-methylidene-5-oxopent-3-enoic acid

C6H7NO3 — CID 54440721

IUPAC5-amino-2-methylidene-5-oxopent-3-enoic acid
SMILESC=C(C=CC(N)=O)C(=O)O
InChIInChI=1S/C6H7NO3/c1-4(6(9)10)2-3-5(7)8/h2-3H,1H2,(H2,7,8)(H,9,10)
InChIKeyWNXCADHPZHMNIG-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.33
Rot. Bonds3

About 5-amino-2-methylidene-5-oxopent-3-enoic acid

5-amino-2-methylidene-5-oxopent-3-enoic acid (PubChem CID 54440721) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-amino-2-methylidene-5-oxopent-3-enoic acid.

Molecular Properties

Compound Name5-amino-2-methylidene-5-oxopent-3-enoic acid
PubChem CID54440721
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name5-amino-2-methylidene-5-oxopent-3-enoic acid
SMILESC=C(C=CC(N)=O)C(=O)O
InChIInChI=1S/C6H7NO3/c1-4(6(9)10)2-3-5(7)8/h2-3H,1H2,(H2,7,8)(H,9,10)
InChIKeyWNXCADHPZHMNIG-UHFFFAOYSA-N
XLogP-0.33
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.33
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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Related Compounds

Allyl maleamic acid
CID 19606700
2-Fluoro-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 119083732
4-Carbamoylpenta-2,4-dienoic acid
CID 53747718
2-(2-Amino-2-oxoethylidene)pent-4-enoic acid
CID 54432451
4-Aminobenzene-5-ide-1-carboxylic acid;yttrium
CID 58305613
5-Amino-5-oxopent-3-enoic acid
CID 85855330
(3Z)-4-amino-2-methylidenehexa-3,5-dienoic acid
CID 88561116
Potassium 5-amino-2-methylidene-5-oxopent-3-enoate
CID 88686675
(3Z)-5-amino-2-methylidenehexa-3,5-dienoic acid
CID 89085989
(E,4Z)-4-(2-aminoethylidene)pent-2-enedioic acid
CID 89500070
4-Carbamoyl-2-methylhexa-2,4-dienoic acid
CID 118260959
2-Methylidene-5-oxo-5-(prop-2-enoylamino)pent-3-enoic acid
CID 123301525

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylidene-5-oxopent-3-enoic acid?
The IUPAC name of 5-amino-2-methylidene-5-oxopent-3-enoic acid (CID 54440721) is 5-amino-2-methylidene-5-oxopent-3-enoic acid.
What is the SMILES notation for 5-amino-2-methylidene-5-oxopent-3-enoic acid?
The canonical SMILES for 5-amino-2-methylidene-5-oxopent-3-enoic acid is C=C(C=CC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-methylidene-5-oxopent-3-enoic acid?
The InChIKey is WNXCADHPZHMNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-4(6(9)10)2-3-5(7)8/h2-3H,1H2,(H2,7,8)(H,9,10).
What are the key properties of 5-amino-2-methylidene-5-oxopent-3-enoic acid?
5-amino-2-methylidene-5-oxopent-3-enoic acid has a molecular weight of 141.13 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylidene-5-oxopent-3-enoic acid is sourced from PubChem (CID 54440721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).