tert-butyl N-(5-azido-3-methoxypentyl)carbamate

C11H22N4O3 — CID 178200963

IUPACtert-butyl N-(5-azido-3-methoxypentyl)carbamate
SMILESCOC(CCN=[N+]=[N-])CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N4O3/c1-11(2,3)18-10(16)13-7-5-9(17-4)6-8-14-15-12/h9H,5-8H2,1-4H3,(H,13,16)
InChIKeyBBRBEOGYFYHVFH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.62
Rot. Bonds7

About tert-butyl N-(5-azido-3-methoxypentyl)carbamate

tert-butyl N-(5-azido-3-methoxypentyl)carbamate (PubChem CID 178200963) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-(5-azido-3-methoxypentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-azido-3-methoxypentyl)carbamate
PubChem CID178200963
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Nametert-butyl N-(5-azido-3-methoxypentyl)carbamate
SMILESCOC(CCN=[N+]=[N-])CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N4O3/c1-11(2,3)18-10(16)13-7-5-9(17-4)6-8-14-15-12/h9H,5-8H2,1-4H3,(H,13,16)
InChIKeyBBRBEOGYFYHVFH-UHFFFAOYSA-N
XLogP2.62
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate
CID 152561182
tert-butyl N-(9-azidononyl)carbamate
CID 138393789
methyl 4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 23385789
4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 18423821
tert-butyl N-[(5S)-5-amino-6-(3-azidopropylamino)-6-oxohexyl]carbamate
CID 170607029
tert-butyl N-[(5R)-5-amino-6-(3-azidopropylamino)-6-oxohexyl]carbamate
CID 168911676
tert-butyl N-(3-methoxybutyl)carbamate
CID 126989537
(2R)-6-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hexanoic acid
CID 71583251
methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10989838
tert-butyl N-(3-azido-2-hydroxypropyl)carbamate
CID 58981724
tert-butyl 4-azido-2-methylbutanoate
CID 150269304
(2R)-2-methoxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;hydrochloride
CID 138683443

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-azido-3-methoxypentyl)carbamate?
The IUPAC name of tert-butyl N-(5-azido-3-methoxypentyl)carbamate (CID 178200963) is tert-butyl N-(5-azido-3-methoxypentyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-azido-3-methoxypentyl)carbamate?
The canonical SMILES for tert-butyl N-(5-azido-3-methoxypentyl)carbamate is COC(CCN=[N+]=[N-])CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-azido-3-methoxypentyl)carbamate?
The InChIKey is BBRBEOGYFYHVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-11(2,3)18-10(16)13-7-5-9(17-4)6-8-14-15-12/h9H,5-8H2,1-4H3,(H,13,16).
What are the key properties of tert-butyl N-(5-azido-3-methoxypentyl)carbamate?
tert-butyl N-(5-azido-3-methoxypentyl)carbamate has a molecular weight of 258.32 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-azido-3-methoxypentyl)carbamate is sourced from PubChem (CID 178200963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).