1-methyl-1-(2-methylpropanoylamino)urea

C6H13N3O2 — CID 58204774

IUPAC1-methyl-1-(2-methylpropanoylamino)urea
SMILESCC(C)C(=O)NN(C)C(N)=O
InChIInChI=1S/C6H13N3O2/c1-4(2)5(10)8-9(3)6(7)11/h4H,1-3H3,(H2,7,11)(H,8,10)
InChIKeyYOERNDPOUDGYJS-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.32
Rot. Bonds1

About 1-methyl-1-(2-methylpropanoylamino)urea

1-methyl-1-(2-methylpropanoylamino)urea (PubChem CID 58204774) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-methyl-1-(2-methylpropanoylamino)urea.

Molecular Properties

Compound Name1-methyl-1-(2-methylpropanoylamino)urea
PubChem CID58204774
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name1-methyl-1-(2-methylpropanoylamino)urea
SMILESCC(C)C(=O)NN(C)C(N)=O
InChIInChI=1S/C6H13N3O2/c1-4(2)5(10)8-9(3)6(7)11/h4H,1-3H3,(H2,7,11)(H,8,10)
InChIKeyYOERNDPOUDGYJS-UHFFFAOYSA-N
XLogP-0.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-methylpropanoylamino)urea?
The IUPAC name of 1-methyl-1-(2-methylpropanoylamino)urea (CID 58204774) is 1-methyl-1-(2-methylpropanoylamino)urea.
What is the SMILES notation for 1-methyl-1-(2-methylpropanoylamino)urea?
The canonical SMILES for 1-methyl-1-(2-methylpropanoylamino)urea is CC(C)C(=O)NN(C)C(N)=O.
What is the InChIKey of 1-methyl-1-(2-methylpropanoylamino)urea?
The InChIKey is YOERNDPOUDGYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-4(2)5(10)8-9(3)6(7)11/h4H,1-3H3,(H2,7,11)(H,8,10).
What are the key properties of 1-methyl-1-(2-methylpropanoylamino)urea?
1-methyl-1-(2-methylpropanoylamino)urea has a molecular weight of 159.19 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-methylpropanoylamino)urea is sourced from PubChem (CID 58204774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).