(3-methoxycyclobutyl) carbamate

C6H11NO3 — CID 175188952

IUPAC(3-methoxycyclobutyl) carbamate
SMILESCOC1CC(OC(N)=O)C1
InChIInChI=1S/C6H11NO3/c1-9-4-2-5(3-4)10-6(7)8/h4-5H,2-3H2,1H3,(H2,7,8)
InChIKeyNCXBQMPSHNOZGQ-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.26
Rot. Bonds2

About (3-methoxycyclobutyl) carbamate

(3-methoxycyclobutyl) carbamate (PubChem CID 175188952) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3-methoxycyclobutyl) carbamate.

Molecular Properties

Compound Name(3-methoxycyclobutyl) carbamate
PubChem CID175188952
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3-methoxycyclobutyl) carbamate
SMILESCOC1CC(OC(N)=O)C1
InChIInChI=1S/C6H11NO3/c1-9-4-2-5(3-4)10-6(7)8/h4-5H,2-3H2,1H3,(H2,7,8)
InChIKeyNCXBQMPSHNOZGQ-UHFFFAOYSA-N
XLogP0.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclobutyl) carbamate?
The IUPAC name of (3-methoxycyclobutyl) carbamate (CID 175188952) is (3-methoxycyclobutyl) carbamate.
What is the SMILES notation for (3-methoxycyclobutyl) carbamate?
The canonical SMILES for (3-methoxycyclobutyl) carbamate is COC1CC(OC(N)=O)C1.
What is the InChIKey of (3-methoxycyclobutyl) carbamate?
The InChIKey is NCXBQMPSHNOZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-9-4-2-5(3-4)10-6(7)8/h4-5H,2-3H2,1H3,(H2,7,8).
What are the key properties of (3-methoxycyclobutyl) carbamate?
(3-methoxycyclobutyl) carbamate has a molecular weight of 145.16 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclobutyl) carbamate is sourced from PubChem (CID 175188952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).