3-amino-2-(formamidomethyl)-3-oxopropanoic acid

C5H8N2O4 — CID 23302695

IUPAC3-amino-2-(formamidomethyl)-3-oxopropanoic acid
SMILESNC(=O)C(CNC=O)C(=O)O
InChIInChI=1S/C5H8N2O4/c6-4(9)3(5(10)11)1-7-2-8/h2-3H,1H2,(H2,6,9)(H,7,8)(H,10,11)
InChIKeyXNPRKOXWTGHIJF-UHFFFAOYSA-N
MW160.13 g/mol
LogP-2.08
Rot. Bonds5

About 3-amino-2-(formamidomethyl)-3-oxopropanoic acid

3-amino-2-(formamidomethyl)-3-oxopropanoic acid (PubChem CID 23302695) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is 3-amino-2-(formamidomethyl)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-amino-2-(formamidomethyl)-3-oxopropanoic acid
PubChem CID23302695
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name3-amino-2-(formamidomethyl)-3-oxopropanoic acid
SMILESNC(=O)C(CNC=O)C(=O)O
InChIInChI=1S/C5H8N2O4/c6-4(9)3(5(10)11)1-7-2-8/h2-3H,1H2,(H2,6,9)(H,7,8)(H,10,11)
InChIKeyXNPRKOXWTGHIJF-UHFFFAOYSA-N
XLogP-2.08
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(formamidomethyl)-3-oxopropanoic acid?
The IUPAC name of 3-amino-2-(formamidomethyl)-3-oxopropanoic acid (CID 23302695) is 3-amino-2-(formamidomethyl)-3-oxopropanoic acid.
What is the SMILES notation for 3-amino-2-(formamidomethyl)-3-oxopropanoic acid?
The canonical SMILES for 3-amino-2-(formamidomethyl)-3-oxopropanoic acid is NC(=O)C(CNC=O)C(=O)O.
What is the InChIKey of 3-amino-2-(formamidomethyl)-3-oxopropanoic acid?
The InChIKey is XNPRKOXWTGHIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4/c6-4(9)3(5(10)11)1-7-2-8/h2-3H,1H2,(H2,6,9)(H,7,8)(H,10,11).
What are the key properties of 3-amino-2-(formamidomethyl)-3-oxopropanoic acid?
3-amino-2-(formamidomethyl)-3-oxopropanoic acid has a molecular weight of 160.13 g/mol, XLogP of -2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(formamidomethyl)-3-oxopropanoic acid is sourced from PubChem (CID 23302695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).