tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate

C16H30N2O5 — CID 147540302

IUPACtert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate
SMILESCON(C)C(=O)[C@H](CCCC1CCCO1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O5/c1-16(2,3)23-15(20)17-13(14(19)18(4)21-5)10-6-8-12-9-7-11-22-12/h12-13H,6-11H2,1-5H3,(H,17,20)/t12?,13-/m0/s1
InChIKeyFOTQIOVLTJUIOZ-ABLWVSNPSA-N
MW330.43 g/mol
LogP2.25
Rot. Bonds7

About tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate

tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate (PubChem CID 147540302) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate
PubChem CID147540302
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Nametert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate
SMILESCON(C)C(=O)[C@H](CCCC1CCCO1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O5/c1-16(2,3)23-15(20)17-13(14(19)18(4)21-5)10-6-8-12-9-7-11-22-12/h12-13H,6-11H2,1-5H3,(H,17,20)/t12?,13-/m0/s1
InChIKeyFOTQIOVLTJUIOZ-ABLWVSNPSA-N
XLogP2.25
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[6-amino-1-[methoxy(methyl)amino]-1-oxohexan-2-yl]carbamate
CID 85093744
tert-butyl N-[(2S)-4-hydroxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
CID 10858271
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid
CID 155819333
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-5-methyl-1-oxohexan-2-yl]carbamate
CID 22942156
tert-butyl N-[1-[methyl(oxolan-2-ylmethyl)amino]-1-oxopropan-2-yl]carbamate
CID 61436416
tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate
CID 124856782
(2S)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 171702983
4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(oxolan-2-yl)pentanoic acid
CID 82837575
tert-butyl N-[2-(hydroxymethyl)-4-(oxolan-2-yl)butyl]carbamate
CID 106508968
tert-butyl N-[4-amino-3-[methyl(oxolan-2-ylmethyl)amino]butan-2-yl]carbamate
CID 102729742
tert-butyl N-[(2S)-7-imino-1-[methoxy(methyl)amino]-1-oxononan-2-yl]carbamate
CID 158354857
tert-butyl N-[(2S)-5-cyclopentyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 166553850

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate (CID 147540302) is tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate is CON(C)C(=O)[C@H](CCCC1CCCO1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate?
The InChIKey is FOTQIOVLTJUIOZ-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-16(2,3)23-15(20)17-13(14(19)18(4)21-5)10-6-8-12-9-7-11-22-12/h12-13H,6-11H2,1-5H3,(H,17,20)/t12?,13-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate has a molecular weight of 330.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-5-(oxolan-2-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 147540302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).