2,2-diformamidopropanoic acid

C5H8N2O4 — CID 87109916

IUPAC2,2-diformamidopropanoic acid
SMILESCC(NC=O)(NC=O)C(=O)O
InChIInChI=1S/C5H8N2O4/c1-5(4(10)11,6-2-8)7-3-9/h2-3H,1H3,(H,6,8)(H,7,9)(H,10,11)
InChIKeyNLUQOPIVKMIUGE-UHFFFAOYSA-N
MW160.13 g/mol
LogP-1.72
Rot. Bonds5

About 2,2-diformamidopropanoic acid

2,2-diformamidopropanoic acid (PubChem CID 87109916) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is 2,2-diformamidopropanoic acid.

Molecular Properties

Compound Name2,2-diformamidopropanoic acid
PubChem CID87109916
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name2,2-diformamidopropanoic acid
SMILESCC(NC=O)(NC=O)C(=O)O
InChIInChI=1S/C5H8N2O4/c1-5(4(10)11,6-2-8)7-3-9/h2-3H,1H3,(H,6,8)(H,7,9)(H,10,11)
InChIKeyNLUQOPIVKMIUGE-UHFFFAOYSA-N
XLogP-1.72
TPSA95.50 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 ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diformamidopropanoic acid?
The IUPAC name of 2,2-diformamidopropanoic acid (CID 87109916) is 2,2-diformamidopropanoic acid.
What is the SMILES notation for 2,2-diformamidopropanoic acid?
The canonical SMILES for 2,2-diformamidopropanoic acid is CC(NC=O)(NC=O)C(=O)O.
What is the InChIKey of 2,2-diformamidopropanoic acid?
The InChIKey is NLUQOPIVKMIUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O4/c1-5(4(10)11,6-2-8)7-3-9/h2-3H,1H3,(H,6,8)(H,7,9)(H,10,11).
What are the key properties of 2,2-diformamidopropanoic acid?
2,2-diformamidopropanoic acid has a molecular weight of 160.13 g/mol, XLogP of -1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diformamidopropanoic acid is sourced from PubChem (CID 87109916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).