1-methyl-1-(propanoylamino)urea

C5H11N3O2 — CID 88534921

IUPAC1-methyl-1-(propanoylamino)urea
SMILESCCC(=O)NN(C)C(N)=O
InChIInChI=1S/C5H11N3O2/c1-3-4(9)7-8(2)5(6)10/h3H2,1-2H3,(H2,6,10)(H,7,9)
InChIKeyAMAFENWETUWEFF-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.56
Rot. Bonds1

About 1-methyl-1-(propanoylamino)urea

1-methyl-1-(propanoylamino)urea (PubChem CID 88534921) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-methyl-1-(propanoylamino)urea.

Molecular Properties

Compound Name1-methyl-1-(propanoylamino)urea
PubChem CID88534921
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name1-methyl-1-(propanoylamino)urea
SMILESCCC(=O)NN(C)C(N)=O
InChIInChI=1S/C5H11N3O2/c1-3-4(9)7-8(2)5(6)10/h3H2,1-2H3,(H2,6,10)(H,7,9)
InChIKeyAMAFENWETUWEFF-UHFFFAOYSA-N
XLogP-0.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.56
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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Related Compounds

acetyl azaglycine-N-methylamide
CID 22082406
acetyl azaalanine-N-methylamide
CID 101207103
1-(2,2-Difluoropropanoylamino)-1-methylurea
CID 130917712
n'-Acetyl-n',2-dimethylpropanehydrazide
CID 248144
1-Ethyl-3-(propanoylamino)urea
CID 14366069
N'-acetyl-N'-methylbutanehydrazide
CID 18423127
1-Methyl-3-(propanoylamino)urea
CID 20080041
(Propanoylamino)urea
CID 20539833
1-Acetamido-3-(dimethylamino)urea
CID 23526158
2-Isobutyryl-1-methylhydrazinecarboxamide
CID 58204774
N'-(methylaminomethyl)propanehydrazide
CID 60069443
3-Acetamido-1,1-dimethylurea
CID 85832883

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(propanoylamino)urea?
The IUPAC name of 1-methyl-1-(propanoylamino)urea (CID 88534921) is 1-methyl-1-(propanoylamino)urea.
What is the SMILES notation for 1-methyl-1-(propanoylamino)urea?
The canonical SMILES for 1-methyl-1-(propanoylamino)urea is CCC(=O)NN(C)C(N)=O.
What is the InChIKey of 1-methyl-1-(propanoylamino)urea?
The InChIKey is AMAFENWETUWEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-3-4(9)7-8(2)5(6)10/h3H2,1-2H3,(H2,6,10)(H,7,9).
What are the key properties of 1-methyl-1-(propanoylamino)urea?
1-methyl-1-(propanoylamino)urea has a molecular weight of 145.16 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(propanoylamino)urea is sourced from PubChem (CID 88534921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).