1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea

C12H22N2O2 — CID 95904290

IUPAC1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea
SMILESCO[C@]1(C)C[C@@H](NC(=O)NC2CC2)C1(C)C
InChIInChI=1S/C12H22N2O2/c1-11(2)9(7-12(11,3)16-4)14-10(15)13-8-5-6-8/h8-9H,5-7H2,1-4H3,(H2,13,14,15)/t9-,12-/m1/s1
InChIKeyAIPAPEPXHQQYEO-BXKDBHETSA-N
MW226.32 g/mol
LogP1.65
Rot. Bonds3

About 1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea

1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea (PubChem CID 95904290) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea
PubChem CID95904290
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea
SMILESCO[C@]1(C)C[C@@H](NC(=O)NC2CC2)C1(C)C
InChIInChI=1S/C12H22N2O2/c1-11(2)9(7-12(11,3)16-4)14-10(15)13-8-5-6-8/h8-9H,5-7H2,1-4H3,(H2,13,14,15)/t9-,12-/m1/s1
InChIKeyAIPAPEPXHQQYEO-BXKDBHETSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea (CID 95904290) is 1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea is CO[C@]1(C)C[C@@H](NC(=O)NC2CC2)C1(C)C.
What is the InChIKey of 1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea?
The InChIKey is AIPAPEPXHQQYEO-BXKDBHETSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2)9(7-12(11,3)16-4)14-10(15)13-8-5-6-8/h8-9H,5-7H2,1-4H3,(H2,13,14,15)/t9-,12-/m1/s1.
What are the key properties of 1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea?
1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea has a molecular weight of 226.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]urea is sourced from PubChem (CID 95904290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).