2-methoxypropyl N-tert-butylcarbamate

C9H19NO3 — CID 174838814

IUPAC2-methoxypropyl N-tert-butylcarbamate
SMILESCOC(C)COC(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-7(12-5)6-13-8(11)10-9(2,3)4/h7H,6H2,1-5H3,(H,10,11)
InChIKeyLROZCBQYGKTIPZ-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.55
Rot. Bonds3

About 2-methoxypropyl N-tert-butylcarbamate

2-methoxypropyl N-tert-butylcarbamate (PubChem CID 174838814) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-methoxypropyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-methoxypropyl N-tert-butylcarbamate
PubChem CID174838814
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-methoxypropyl N-tert-butylcarbamate
SMILESCOC(C)COC(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-7(12-5)6-13-8(11)10-9(2,3)4/h7H,6H2,1-5H3,(H,10,11)
InChIKeyLROZCBQYGKTIPZ-UHFFFAOYSA-N
XLogP1.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
ethyl 3-(tert-butylcarbamoyloxy)-2-methylpropanoate
CID 174901087
2-(4-formylphenoxy)propyl N-tert-butylcarbamate
CID 140519013
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate
CID 175303197
2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl N-tert-butylcarbamate
CID 175605788
2-methoxypropyl N-[2-[3-(2-acetamidopropan-2-yl)phenyl]propan-2-yl]carbamate
CID 59102822
(4-amino-2-hydroxybutyl) N-tert-butylcarbamate
CID 175489678
2-propan-2-yloxyethyl N-tert-butylcarbamate
CID 174652774
2,2-dimethylpropyl N-tert-butylcarbamate
CID 11171443
2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate
CID 90840160
3-(propan-2-ylamino)propyl N-tert-butylcarbamate
CID 79337530

Frequently Asked Questions

What is the IUPAC name of 2-methoxypropyl N-tert-butylcarbamate?
The IUPAC name of 2-methoxypropyl N-tert-butylcarbamate (CID 174838814) is 2-methoxypropyl N-tert-butylcarbamate.
What is the SMILES notation for 2-methoxypropyl N-tert-butylcarbamate?
The canonical SMILES for 2-methoxypropyl N-tert-butylcarbamate is COC(C)COC(=O)NC(C)(C)C.
What is the InChIKey of 2-methoxypropyl N-tert-butylcarbamate?
The InChIKey is LROZCBQYGKTIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(12-5)6-13-8(11)10-9(2,3)4/h7H,6H2,1-5H3,(H,10,11).
What are the key properties of 2-methoxypropyl N-tert-butylcarbamate?
2-methoxypropyl N-tert-butylcarbamate has a molecular weight of 189.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropyl N-tert-butylcarbamate is sourced from PubChem (CID 174838814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).