tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate

C9H17N3O3 — CID 11117423

IUPACtert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate
SMILESCNN1C[C@H](NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)11-6-5-12(10-4)7(6)13/h6,10H,5H2,1-4H3,(H,11,14)/t6-/m0/s1
InChIKeyRGICQWUIDXAEPY-LURJTMIESA-N
MW215.25 g/mol
LogP-0.14
Rot. Bonds2

About tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate

tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate (PubChem CID 11117423) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate
PubChem CID11117423
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Nametert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate
SMILESCNN1C[C@H](NC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)11-6-5-12(10-4)7(6)13/h6,10H,5H2,1-4H3,(H,11,14)/t6-/m0/s1
InChIKeyRGICQWUIDXAEPY-LURJTMIESA-N
XLogP-0.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 58735408
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
CID 45092234
2-[carboxymethyl-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazetidine-1-carbonyl]amino]acetic acid
CID 18601852
tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 45092180
tert-butyl N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]carbamate
CID 72533232
tert-butyl N-(2-oxo-1-trityloxyazetidin-3-yl)carbamate
CID 139885591
tert-butyl (2S)-6-acetyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-5-carboxylate
CID 157497193
tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate
CID 100954112
methyl (Z)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazetidin-1-yl]-3-phenylprop-2-enoate
CID 102241618
tert-butyl N-[(3S)-1-methoxy-2-sulfanylideneazetidin-3-yl]carbamate
CID 15813286
2-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetic acid
CID 10779565

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate (CID 11117423) is tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate is CNN1C[C@H](NC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate?
The InChIKey is RGICQWUIDXAEPY-LURJTMIESA-N. The full InChI is InChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)11-6-5-12(10-4)7(6)13/h6,10H,5H2,1-4H3,(H,11,14)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate has a molecular weight of 215.25 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(methylamino)-2-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 11117423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).