tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate

C12H21FN2O4 — CID 71279849

IUPACtert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate
SMILESCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(F)C1
InChIInChI=1S/C12H21FN2O4/c1-12(2,3)19-11(17)14-9(7-18-4)10(16)15-5-8(13)6-15/h8-9H,5-7H2,1-4H3,(H,14,17)/t9-/m1/s1
InChIKeyURKPXWKZOITOAH-SECBINFHSA-N
MW276.31 g/mol
LogP0.71
Rot. Bonds4

About tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate (PubChem CID 71279849) has the molecular formula C12H21FN2O4 and a molecular weight of 276.31 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate
PubChem CID71279849
Molecular FormulaC12H21FN2O4
Molecular Weight276.31 g/mol
Exact Mass276.15
IUPAC Nametert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate
SMILESCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(F)C1
InChIInChI=1S/C12H21FN2O4/c1-12(2,3)19-11(17)14-9(7-18-4)10(16)15-5-8(13)6-15/h8-9H,5-7H2,1-4H3,(H,14,17)/t9-/m1/s1
InChIKeyURKPXWKZOITOAH-SECBINFHSA-N
XLogP0.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate;3-fluoroazetidine;(2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 159334834
tert-butyl N-[1-[(3R,5S)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 134519750
(2S)-1-[(2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 25067881
tert-butyl N-[(2R)-1-(3-fluoropyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 71279861
tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 87494634
tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate
CID 130475488
tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate
CID 50987865
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
tert-butyl N-[(2S)-6-amino-1-oxo-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexan-2-yl]carbamate
CID 86596622
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
methyl 5,5-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53419541
ethyl 4-[(2R)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate
CID 68600107

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate (CID 71279849) is tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate is COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(F)C1.
What is the InChIKey of tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate?
The InChIKey is URKPXWKZOITOAH-SECBINFHSA-N. The full InChI is InChI=1S/C12H21FN2O4/c1-12(2,3)19-11(17)14-9(7-18-4)10(16)15-5-8(13)6-15/h8-9H,5-7H2,1-4H3,(H,14,17)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate has a molecular weight of 276.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(3-fluoroazetidin-1-yl)-3-methoxy-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 71279849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).