tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate

C16H32N2O3 — CID 124856782

IUPACtert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate
SMILESC[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCC[C@H]1CCCO1
InChIInChI=1S/C16H32N2O3/c1-12(17-9-8-14-7-6-10-20-14)11-13(2)18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)/t12-,13-,14-/m1/s1
InChIKeyRVKAAPYDKZVRKU-MGPQQGTHSA-N
MW300.44 g/mol
LogP2.84
Rot. Bonds7

About tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate

tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate (PubChem CID 124856782) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate
PubChem CID124856782
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate
SMILESC[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCC[C@H]1CCCO1
InChIInChI=1S/C16H32N2O3/c1-12(17-9-8-14-7-6-10-20-14)11-13(2)18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)/t12-,13-,14-/m1/s1
InChIKeyRVKAAPYDKZVRKU-MGPQQGTHSA-N
XLogP2.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[methyl(oxolan-2-ylmethyl)amino]-1-oxopropan-2-yl]carbamate
CID 61436416
tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate
CID 106508968
tert-butyl N-[(2S)-4-[(2R,5R)-5-hydroxyoxan-2-yl]butan-2-yl]carbamate
CID 122497575
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid
CID 155819333
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]carbamate
CID 110677926
tert-butyl N-[4-amino-3-[methyl(oxolan-2-ylmethyl)amino]butan-2-yl]carbamate
CID 102729742
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
1-bromo-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 107859707
3,3-dimethyl-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 115708972
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate
CID 147540302
tert-butyl N-[4-(4-methylpentan-2-ylamino)butan-2-yl]carbamate
CID 103901742
4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(oxolan-2-yl)pentanoic acid
CID 82837575

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate (CID 124856782) is tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate is C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCC[C@H]1CCCO1.
What is the InChIKey of tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate?
The InChIKey is RVKAAPYDKZVRKU-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-12(17-9-8-14-7-6-10-20-14)11-13(2)18-15(19)21-16(3,4)5/h12-14,17H,6-11H2,1-5H3,(H,18,19)/t12-,13-,14-/m1/s1.
What are the key properties of tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate?
tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate has a molecular weight of 300.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate is sourced from PubChem (CID 124856782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).