tert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate

C9H17NO4 — CID 45091988

IUPACtert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1OCCO1
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-8(11)10-6-7-12-4-5-13-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyFWGWSCUXRJUKFA-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.88
Rot. Bonds2

About tert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate

tert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate (PubChem CID 45091988) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is tert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate
PubChem CID45091988
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nametert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1OCCO1
InChIInChI=1S/C9H17NO4/c1-9(2,3)14-8(11)10-6-7-12-4-5-13-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyFWGWSCUXRJUKFA-UHFFFAOYSA-N
XLogP0.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate (CID 45091988) is tert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1OCCO1.
What is the InChIKey of tert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate?
The InChIKey is FWGWSCUXRJUKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-9(2,3)14-8(11)10-6-7-12-4-5-13-7/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of tert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate?
tert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate has a molecular weight of 203.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-dioxolan-2-ylmethyl)carbamate is sourced from PubChem (CID 45091988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).