(2-methylpropanoylamino)urea

C5H11N3O2 — CID 60704517

IUPAC(2-methylpropanoylamino)urea
SMILESCC(C)C(=O)NNC(N)=O
InChIInChI=1S/C5H11N3O2/c1-3(2)4(9)7-8-5(6)10/h3H,1-2H3,(H,7,9)(H3,6,8,10)
InChIKeyVIGAWBDTKUOSQA-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.66
Rot. Bonds1

About (2-methylpropanoylamino)urea

(2-methylpropanoylamino)urea (PubChem CID 60704517) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2-methylpropanoylamino)urea.

Molecular Properties

Compound Name(2-methylpropanoylamino)urea
PubChem CID60704517
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name(2-methylpropanoylamino)urea
SMILESCC(C)C(=O)NNC(N)=O
InChIInChI=1S/C5H11N3O2/c1-3(2)4(9)7-8-5(6)10/h3H,1-2H3,(H,7,9)(H3,6,8,10)
InChIKeyVIGAWBDTKUOSQA-UHFFFAOYSA-N
XLogP-0.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-methylpropanamide
CID 541584
N'-[(E)-1-amino-2-cyanoethenyl]-2-methylpropanehydrazide
CID 15879887
(2-cyclopropylpropanoylamino)urea
CID 83150747
(Z)-4-[2-(2-methylpropanoyl)hydrazinyl]-4-oxobut-2-enoic acid
CID 15225454
(2-methylpropylamino)urea
CID 55285405
[1-(carbamoylamino)-2-methylpropyl]urea
CID 22478
N'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide
CID 118374905
(2-cyanobutanoylamino)urea
CID 14198973
N-(aminomethyl)-2-methylpropanamide
CID 88582106
N'-[(E)-2-chloroethenyl]-2-methylpropanehydrazide
CID 2398066
2-(2-methylpropanoylamino)but-2-enamide
CID 57262918
N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide
CID 61127271

Frequently Asked Questions

What is the IUPAC name of (2-methylpropanoylamino)urea?
The IUPAC name of (2-methylpropanoylamino)urea (CID 60704517) is (2-methylpropanoylamino)urea.
What is the SMILES notation for (2-methylpropanoylamino)urea?
The canonical SMILES for (2-methylpropanoylamino)urea is CC(C)C(=O)NNC(N)=O.
What is the InChIKey of (2-methylpropanoylamino)urea?
The InChIKey is VIGAWBDTKUOSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-3(2)4(9)7-8-5(6)10/h3H,1-2H3,(H,7,9)(H3,6,8,10).
What are the key properties of (2-methylpropanoylamino)urea?
(2-methylpropanoylamino)urea has a molecular weight of 145.16 g/mol, XLogP of -0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropanoylamino)urea is sourced from PubChem (CID 60704517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).