3-(oxaloamino)propanoic acid;hydrochloride

C5H8ClNO5 — CID 89155811

IUPAC3-(oxaloamino)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCNC(=O)C(=O)O
InChIInChI=1S/C5H7NO5.ClH/c7-3(8)1-2-6-4(9)5(10)11;/h1-2H2,(H,6,9)(H,7,8)(H,10,11);1H
InChIKeyQOJUJFWADJDXKS-UHFFFAOYSA-N
MW197.57 g/mol
LogP-0.92
Rot. Bonds3

About 3-(oxaloamino)propanoic acid;hydrochloride

3-(oxaloamino)propanoic acid;hydrochloride (PubChem CID 89155811) has the molecular formula C5H8ClNO5 and a molecular weight of 197.57 g/mol. Its IUPAC name is 3-(oxaloamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(oxaloamino)propanoic acid;hydrochloride
PubChem CID89155811
Molecular FormulaC5H8ClNO5
Molecular Weight197.57 g/mol
Exact Mass197.01
IUPAC Name3-(oxaloamino)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCNC(=O)C(=O)O
InChIInChI=1S/C5H7NO5.ClH/c7-3(8)1-2-6-4(9)5(10)11;/h1-2H2,(H,6,9)(H,7,8)(H,10,11);1H
InChIKeyQOJUJFWADJDXKS-UHFFFAOYSA-N
XLogP-0.92
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.57
LogP ≤ 5-0.92
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 3-(oxaloamino)propanoic acid;hydrochloride?
The IUPAC name of 3-(oxaloamino)propanoic acid;hydrochloride (CID 89155811) is 3-(oxaloamino)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(oxaloamino)propanoic acid;hydrochloride?
The canonical SMILES for 3-(oxaloamino)propanoic acid;hydrochloride is Cl.O=C(O)CCNC(=O)C(=O)O.
What is the InChIKey of 3-(oxaloamino)propanoic acid;hydrochloride?
The InChIKey is QOJUJFWADJDXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO5.ClH/c7-3(8)1-2-6-4(9)5(10)11;/h1-2H2,(H,6,9)(H,7,8)(H,10,11);1H.
What are the key properties of 3-(oxaloamino)propanoic acid;hydrochloride?
3-(oxaloamino)propanoic acid;hydrochloride has a molecular weight of 197.57 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxaloamino)propanoic acid;hydrochloride is sourced from PubChem (CID 89155811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).