2-amino-3-(oxomethylidene)pentanoic acid

C6H9NO3 — CID 154083021

IUPAC2-amino-3-(oxomethylidene)pentanoic acid
SMILESCCC(=C=O)C(N)C(=O)O
InChIInChI=1S/C6H9NO3/c1-2-4(3-8)5(7)6(9)10/h5H,2,7H2,1H3,(H,9,10)
InChIKeyMAXCTWQJKYQJKQ-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.43
Rot. Bonds3

About 2-amino-3-(oxomethylidene)pentanoic acid

2-amino-3-(oxomethylidene)pentanoic acid (PubChem CID 154083021) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-amino-3-(oxomethylidene)pentanoic acid.

Molecular Properties

Compound Name2-amino-3-(oxomethylidene)pentanoic acid
PubChem CID154083021
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-amino-3-(oxomethylidene)pentanoic acid
SMILESCCC(=C=O)C(N)C(=O)O
InChIInChI=1S/C6H9NO3/c1-2-4(3-8)5(7)6(9)10/h5H,2,7H2,1H3,(H,9,10)
InChIKeyMAXCTWQJKYQJKQ-UHFFFAOYSA-N
XLogP-0.43
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(oxomethylidene)pentanoic acid?
The IUPAC name of 2-amino-3-(oxomethylidene)pentanoic acid (CID 154083021) is 2-amino-3-(oxomethylidene)pentanoic acid.
What is the SMILES notation for 2-amino-3-(oxomethylidene)pentanoic acid?
The canonical SMILES for 2-amino-3-(oxomethylidene)pentanoic acid is CCC(=C=O)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(oxomethylidene)pentanoic acid?
The InChIKey is MAXCTWQJKYQJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-4(3-8)5(7)6(9)10/h5H,2,7H2,1H3,(H,9,10).
What are the key properties of 2-amino-3-(oxomethylidene)pentanoic acid?
2-amino-3-(oxomethylidene)pentanoic acid has a molecular weight of 143.14 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(oxomethylidene)pentanoic acid is sourced from PubChem (CID 154083021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).