2-(carbamoylamino)propanediamide

C4H8N4O3 — CID 91601905

IUPAC2-(carbamoylamino)propanediamide
SMILESNC(=O)NC(C(N)=O)C(N)=O
InChIInChI=1S/C4H8N4O3/c5-2(9)1(3(6)10)8-4(7)11/h1H,(H2,5,9)(H2,6,10)(H3,7,8,11)
InChIKeyNSUYRLAKXXIDID-UHFFFAOYSA-N
MW160.13 g/mol
LogP-3.01
Rot. Bonds3

About 2-(carbamoylamino)propanediamide

2-(carbamoylamino)propanediamide (PubChem CID 91601905) has the molecular formula C4H8N4O3 and a molecular weight of 160.13 g/mol. Its IUPAC name is 2-(carbamoylamino)propanediamide.

Molecular Properties

Compound Name2-(carbamoylamino)propanediamide
PubChem CID91601905
Molecular FormulaC4H8N4O3
Molecular Weight160.13 g/mol
Exact Mass160.06
IUPAC Name2-(carbamoylamino)propanediamide
SMILESNC(=O)NC(C(N)=O)C(N)=O
InChIInChI=1S/C4H8N4O3/c5-2(9)1(3(6)10)8-4(7)11/h1H,(H2,5,9)(H2,6,10)(H3,7,8,11)
InChIKeyNSUYRLAKXXIDID-UHFFFAOYSA-N
XLogP-3.01
TPSA141.30 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-3.01
H-Bond Donors ≤ 54
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 2-(carbamoylamino)propanediamide?
The IUPAC name of 2-(carbamoylamino)propanediamide (CID 91601905) is 2-(carbamoylamino)propanediamide.
What is the SMILES notation for 2-(carbamoylamino)propanediamide?
The canonical SMILES for 2-(carbamoylamino)propanediamide is NC(=O)NC(C(N)=O)C(N)=O.
What is the InChIKey of 2-(carbamoylamino)propanediamide?
The InChIKey is NSUYRLAKXXIDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O3/c5-2(9)1(3(6)10)8-4(7)11/h1H,(H2,5,9)(H2,6,10)(H3,7,8,11).
What are the key properties of 2-(carbamoylamino)propanediamide?
2-(carbamoylamino)propanediamide has a molecular weight of 160.13 g/mol, XLogP of -3.01, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)propanediamide is sourced from PubChem (CID 91601905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).