3-methoxybutan-2-yl carbamate

C6H13NO3 — CID 88788189

IUPAC3-methoxybutan-2-yl carbamate
SMILESCOC(C)C(C)OC(N)=O
InChIInChI=1S/C6H13NO3/c1-4(9-3)5(2)10-6(7)8/h4-5H,1-3H3,(H2,7,8)
InChIKeyRDRXFJTUGFIOGH-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.51
Rot. Bonds3

About 3-methoxybutan-2-yl carbamate

3-methoxybutan-2-yl carbamate (PubChem CID 88788189) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 3-methoxybutan-2-yl carbamate.

Molecular Properties

Compound Name3-methoxybutan-2-yl carbamate
PubChem CID88788189
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3-methoxybutan-2-yl carbamate
SMILESCOC(C)C(C)OC(N)=O
InChIInChI=1S/C6H13NO3/c1-4(9-3)5(2)10-6(7)8/h4-5H,1-3H3,(H2,7,8)
InChIKeyRDRXFJTUGFIOGH-UHFFFAOYSA-N
XLogP0.51
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxybutan-2-yl carbamate?
The IUPAC name of 3-methoxybutan-2-yl carbamate (CID 88788189) is 3-methoxybutan-2-yl carbamate.
What is the SMILES notation for 3-methoxybutan-2-yl carbamate?
The canonical SMILES for 3-methoxybutan-2-yl carbamate is COC(C)C(C)OC(N)=O.
What is the InChIKey of 3-methoxybutan-2-yl carbamate?
The InChIKey is RDRXFJTUGFIOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(9-3)5(2)10-6(7)8/h4-5H,1-3H3,(H2,7,8).
What are the key properties of 3-methoxybutan-2-yl carbamate?
3-methoxybutan-2-yl carbamate has a molecular weight of 147.17 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybutan-2-yl carbamate is sourced from PubChem (CID 88788189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).