1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea

C10H20N2O2 — CID 66005658

IUPAC1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea
SMILESCC(C)(C)NC(=O)NCC1CC(O)C1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)12-9(14)11-6-7-4-8(13)5-7/h7-8,13H,4-6H2,1-3H3,(H2,11,12,14)
InChIKeyVDTGAKLNZAGXFG-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.86
Rot. Bonds2

About 1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea

1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea (PubChem CID 66005658) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea
PubChem CID66005658
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea
SMILESCC(C)(C)NC(=O)NCC1CC(O)C1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)12-9(14)11-6-7-4-8(13)5-7/h7-8,13H,4-6H2,1-3H3,(H2,11,12,14)
InChIKeyVDTGAKLNZAGXFG-UHFFFAOYSA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-(piperidin-4-ylmethyl)urea
CID 28786559
1-tert-butyl-3-[(2,2-dimethylcyclopropyl)methyl]urea
CID 103753121
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748
(3-hydroxycyclobutyl)methylurea
CID 66005226
2-amino-N-[(3-hydroxycyclobutyl)methyl]-2-methylpentanamide
CID 66004244
2-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbutanamide
CID 114291632
6-amino-N-[(3-hydroxycyclobutyl)methyl]-4,4-dimethylhexanamide
CID 66007023
2-amino-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66005079
3-(ethylamino)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66005719
2-[(3-hydroxycyclobutyl)methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 66005947
N-[(3-hydroxycyclobutyl)methyl]prop-2-ynamide
CID 66006705
1-(2-tert-butylsulfanylethyl)-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99792927

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea (CID 66005658) is 1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea is CC(C)(C)NC(=O)NCC1CC(O)C1.
What is the InChIKey of 1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea?
The InChIKey is VDTGAKLNZAGXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)12-9(14)11-6-7-4-8(13)5-7/h7-8,13H,4-6H2,1-3H3,(H2,11,12,14).
What are the key properties of 1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea?
1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea has a molecular weight of 200.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(3-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 66005658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).