(3-methyl-2-oxobutyl)urea

C6H12N2O2 — CID 20600814

IUPAC(3-methyl-2-oxobutyl)urea
SMILESCC(C)C(=O)CNC(N)=O
InChIInChI=1S/C6H12N2O2/c1-4(2)5(9)3-8-6(7)10/h4H,3H2,1-2H3,(H3,7,8,10)
InChIKeyRTWQTUDEXGPIEX-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.12
Rot. Bonds3

About (3-methyl-2-oxobutyl)urea

(3-methyl-2-oxobutyl)urea (PubChem CID 20600814) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3-methyl-2-oxobutyl)urea.

Molecular Properties

Compound Name(3-methyl-2-oxobutyl)urea
PubChem CID20600814
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(3-methyl-2-oxobutyl)urea
SMILESCC(C)C(=O)CNC(N)=O
InChIInChI=1S/C6H12N2O2/c1-4(2)5(9)3-8-6(7)10/h4H,3H2,1-2H3,(H3,7,8,10)
InChIKeyRTWQTUDEXGPIEX-UHFFFAOYSA-N
XLogP-0.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-methyl-2-oxobutyl)pentanediamide
CID 59531401
1-amino-3-(3-methyl-2-oxobutyl)urea
CID 163254583
1-(1-hydroxyethenylamino)-3-methylbutan-2-one
CID 178093816
2-(ethylamino)-3-methyl-N-(3-methyl-2-oxobutyl)but-2-enamide;propylurea
CID 178033953
4-[(3-methyl-2-oxobutyl)amino]-4-oxobutanethioic S-acid
CID 146619598
11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
CID 138660324
N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide
CID 142455288
1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide
CID 59440307
S-methyl 6-[(3-methyl-2-oxobutyl)amino]-6-oxohexanethioate
CID 166897496
N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide
CID 157115895
2-(carbamoylamino)acetic acid
CID 87288569
(2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide
CID 169195729

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-oxobutyl)urea?
The IUPAC name of (3-methyl-2-oxobutyl)urea (CID 20600814) is (3-methyl-2-oxobutyl)urea.
What is the SMILES notation for (3-methyl-2-oxobutyl)urea?
The canonical SMILES for (3-methyl-2-oxobutyl)urea is CC(C)C(=O)CNC(N)=O.
What is the InChIKey of (3-methyl-2-oxobutyl)urea?
The InChIKey is RTWQTUDEXGPIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(2)5(9)3-8-6(7)10/h4H,3H2,1-2H3,(H3,7,8,10).
What are the key properties of (3-methyl-2-oxobutyl)urea?
(3-methyl-2-oxobutyl)urea has a molecular weight of 144.17 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-oxobutyl)urea is sourced from PubChem (CID 20600814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).