1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea

C10H20N2O2 — CID 63298478

IUPAC1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
SMILESCC(C)(C)NC(=O)NCC(O)C1CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)12-9(14)11-6-8(13)7-4-5-7/h7-8,13H,4-6H2,1-3H3,(H2,11,12,14)
InChIKeyNTTRFTJBSCZYCY-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.86
Rot. Bonds3

About 1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea

1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea (PubChem CID 63298478) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
PubChem CID63298478
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea
SMILESCC(C)(C)NC(=O)NCC(O)C1CC1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)12-9(14)11-6-8(13)7-4-5-7/h7-8,13H,4-6H2,1-3H3,(H2,11,12,14)
InChIKeyNTTRFTJBSCZYCY-UHFFFAOYSA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The IUPAC name of 1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea (CID 63298478) is 1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The canonical SMILES for 1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea is CC(C)(C)NC(=O)NCC(O)C1CC1.
What is the InChIKey of 1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea?
The InChIKey is NTTRFTJBSCZYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)12-9(14)11-6-8(13)7-4-5-7/h7-8,13H,4-6H2,1-3H3,(H2,11,12,14).
What are the key properties of 1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea?
1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea has a molecular weight of 200.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-cyclopropyl-2-hydroxyethyl)urea is sourced from PubChem (CID 63298478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).