tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate

C15H30N2O5 — CID 22485464

IUPACtert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
SMILESCN(CC(O)CN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O5/c1-14(2,3)21-12(19)16(7)9-11(18)10-17(8)13(20)22-15(4,5)6/h11,18H,9-10H2,1-8H3
InChIKeyRISZGDUKPHUZLL-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.08
Rot. Bonds4

About tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate

tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate (PubChem CID 22485464) has the molecular formula C15H30N2O5 and a molecular weight of 318.41 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
PubChem CID22485464
Molecular FormulaC15H30N2O5
Molecular Weight318.41 g/mol
Exact Mass318.22
IUPAC Nametert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
SMILESCN(CC(O)CN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O5/c1-14(2,3)21-12(19)16(7)9-11(18)10-17(8)13(20)22-15(4,5)6/h11,18H,9-10H2,1-8H3
InChIKeyRISZGDUKPHUZLL-UHFFFAOYSA-N
XLogP2.08
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
methyl 2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 86646376
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
tert-butyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
CID 13034825
tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate
CID 87303261
2-(fluoromethyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 105495939
tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate
CID 105481712
tert-butyl N-[2-(fluoromethyl)-3-oxopropyl]-N-methylcarbamate
CID 105473883
S-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propan-2-yl] ethanethioate
CID 91382308
tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
CID 63753489
tert-butyl N-(2-methoxy-3-oxopropyl)-N-methylcarbamate
CID 89082388

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate (CID 22485464) is tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate is CN(CC(O)CN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate?
The InChIKey is RISZGDUKPHUZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O5/c1-14(2,3)21-12(19)16(7)9-11(18)10-17(8)13(20)22-15(4,5)6/h11,18H,9-10H2,1-8H3.
What are the key properties of tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate?
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate has a molecular weight of 318.41 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate is sourced from PubChem (CID 22485464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).