tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate

C11H22N2O2 — CID 97300299

IUPACtert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
SMILESCN[C@@H](CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-9(12-4)8-5-6-8/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyKUQTVSBIBUEQNN-VIFPVBQESA-N
MW214.31 g/mol
LogP1.51
Rot. Bonds4

About tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate

tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate (PubChem CID 97300299) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
PubChem CID97300299
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
SMILESCN[C@@H](CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-9(12-4)8-5-6-8/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyKUQTVSBIBUEQNN-VIFPVBQESA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 104578296
tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate
CID 107254500
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504
tert-butyl N-[(2R)-2-cyclopropyl-2-[[2-(dimethylamino)-2-oxoethyl]amino]ethyl]carbamate
CID 124617896
tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
CID 107252527
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate
CID 104578291
tert-butyl N-[2-cyclopropyl-2-[(1-oxothian-4-yl)amino]ethyl]carbamate
CID 107251822
tert-butyl N-[2-cyclopropyl-2-(oxan-4-ylmethylamino)ethyl]carbamate
CID 103745471
tert-butyl N-[2-cyclopropyl-2-[(4-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699773

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate (CID 97300299) is tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate is CN[C@@H](CNC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate?
The InChIKey is KUQTVSBIBUEQNN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-9(12-4)8-5-6-8/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate?
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 97300299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).