3-(carbamoylamino)-3-oxopropanoic acid

C4H6N2O4 — CID 10290858

IUPAC3-(carbamoylamino)-3-oxopropanoic acid
SMILESNC(=O)NC(=O)CC(=O)O
InChIInChI=1S/C4H6N2O4/c5-4(10)6-2(7)1-3(8)9/h1H2,(H,8,9)(H3,5,6,7,10)
InChIKeyUCUUMUFWVSUBOL-UHFFFAOYSA-N
MW146.10 g/mol
LogP-1.34
Rot. Bonds2

About 3-(carbamoylamino)-3-oxopropanoic acid

3-(carbamoylamino)-3-oxopropanoic acid (PubChem CID 10290858) has the molecular formula C4H6N2O4 and a molecular weight of 146.10 g/mol. Its IUPAC name is 3-(carbamoylamino)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(carbamoylamino)-3-oxopropanoic acid
PubChem CID10290858
Molecular FormulaC4H6N2O4
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name3-(carbamoylamino)-3-oxopropanoic acid
SMILESNC(=O)NC(=O)CC(=O)O
InChIInChI=1S/C4H6N2O4/c5-4(10)6-2(7)1-3(8)9/h1H2,(H,8,9)(H3,5,6,7,10)
InChIKeyUCUUMUFWVSUBOL-UHFFFAOYSA-N
XLogP-1.34
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-3-oxopropanoic acid?
The IUPAC name of 3-(carbamoylamino)-3-oxopropanoic acid (CID 10290858) is 3-(carbamoylamino)-3-oxopropanoic acid.
What is the SMILES notation for 3-(carbamoylamino)-3-oxopropanoic acid?
The canonical SMILES for 3-(carbamoylamino)-3-oxopropanoic acid is NC(=O)NC(=O)CC(=O)O.
What is the InChIKey of 3-(carbamoylamino)-3-oxopropanoic acid?
The InChIKey is UCUUMUFWVSUBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O4/c5-4(10)6-2(7)1-3(8)9/h1H2,(H,8,9)(H3,5,6,7,10).
What are the key properties of 3-(carbamoylamino)-3-oxopropanoic acid?
3-(carbamoylamino)-3-oxopropanoic acid has a molecular weight of 146.10 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 3-(carbamoylamino)-3-oxopropanoic acid is sourced from PubChem (CID 10290858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).