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126330-77-6 | Carbamic acid, N-[(3R)-2-oxo-3-oxetanyl]-, 1,1-dimethylethyl ester
CAS No: 126330-77-6 Catalog No: AG000SNH MDL No:MFCD11519129
Product Description
Catalog Number:
AG000SNH
Chemical Name:
Carbamic acid, N-[(3R)-2-oxo-3-oxetanyl]-, 1,1-dimethylethyl ester
CAS Number:
126330-77-6
Molecular Formula:
C8H13NO4
Molecular Weight:
187.1931
MDL Number:
MFCD11519129
IUPAC Name:
tert-butyl N-[(3R)-2-oxooxetan-3-yl]carbamate
InChI:
InChI=1S/C8H13NO4/c1-8(2,3)13-7(11)9-5-4-12-6(5)10/h5H,4H2,1-3H3,(H,9,11)/t5-/m1/s1
InChI Key:
HRJDEHQWXAPGBG-RXMQYKEDSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1COC1=O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.195g/mol
Monoisotopic Mass:
187.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| N-(2-oxo-3-oxetanyl)carbamic acid esters as N-acylethanolamine acid amidase inhibitors: synthesis and structure-activity and structure-property relationships. | Journal of medicinal chemistry 20120524 |
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