2-(oxaloamino)propanoic acid

C5H7NO5 — CID 14985594

IUPAC2-(oxaloamino)propanoic acid
SMILESCC(NC(=O)C(=O)O)C(=O)O
InChIInChI=1S/C5H7NO5/c1-2(4(8)9)6-3(7)5(10)11/h2H,1H3,(H,6,7)(H,8,9)(H,10,11)
InChIKeyTZPZMVZGJVYAML-UHFFFAOYSA-N
MW161.11 g/mol
LogP-1.34
Rot. Bonds2

About 2-(oxaloamino)propanoic acid

2-(oxaloamino)propanoic acid (PubChem CID 14985594) has the molecular formula C5H7NO5 and a molecular weight of 161.11 g/mol. Its IUPAC name is 2-(oxaloamino)propanoic acid.

Molecular Properties

Compound Name2-(oxaloamino)propanoic acid
PubChem CID14985594
Molecular FormulaC5H7NO5
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name2-(oxaloamino)propanoic acid
SMILESCC(NC(=O)C(=O)O)C(=O)O
InChIInChI=1S/C5H7NO5/c1-2(4(8)9)6-3(7)5(10)11/h2H,1H3,(H,6,7)(H,8,9)(H,10,11)
InChIKeyTZPZMVZGJVYAML-UHFFFAOYSA-N
XLogP-1.34
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxaloamino)propanoic acid?
The IUPAC name of 2-(oxaloamino)propanoic acid (CID 14985594) is 2-(oxaloamino)propanoic acid.
What is the SMILES notation for 2-(oxaloamino)propanoic acid?
The canonical SMILES for 2-(oxaloamino)propanoic acid is CC(NC(=O)C(=O)O)C(=O)O.
What is the InChIKey of 2-(oxaloamino)propanoic acid?
The InChIKey is TZPZMVZGJVYAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO5/c1-2(4(8)9)6-3(7)5(10)11/h2H,1H3,(H,6,7)(H,8,9)(H,10,11).
What are the key properties of 2-(oxaloamino)propanoic acid?
2-(oxaloamino)propanoic acid has a molecular weight of 161.11 g/mol, XLogP of -1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxaloamino)propanoic acid is sourced from PubChem (CID 14985594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).