tert-butyl N-(4-amino-2-methoxybutyl)carbamate

C10H22N2O3 — CID 117273632

IUPACtert-butyl N-(4-amino-2-methoxybutyl)carbamate
SMILESCOC(CCN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-10(2,3)15-9(13)12-7-8(14-4)5-6-11/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyCFIHMCMMDZOJAC-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.87
Rot. Bonds5

About tert-butyl N-(4-amino-2-methoxybutyl)carbamate

tert-butyl N-(4-amino-2-methoxybutyl)carbamate (PubChem CID 117273632) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is tert-butyl N-(4-amino-2-methoxybutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-2-methoxybutyl)carbamate
PubChem CID117273632
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Nametert-butyl N-(4-amino-2-methoxybutyl)carbamate
SMILESCOC(CCN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-10(2,3)15-9(13)12-7-8(14-4)5-6-11/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyCFIHMCMMDZOJAC-UHFFFAOYSA-N
XLogP0.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate
CID 87486747
tert-butyl N-(6-amino-2,4-dimethylhexyl)carbamate
CID 131977667
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270
tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate
CID 174908055
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
methyl 2-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 75525942
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
methyl 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170380400
methyl (2S,3R)-2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 130935701
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-2-methoxybutyl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-2-methoxybutyl)carbamate (CID 117273632) is tert-butyl N-(4-amino-2-methoxybutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-2-methoxybutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-2-methoxybutyl)carbamate is COC(CCN)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-amino-2-methoxybutyl)carbamate?
The InChIKey is CFIHMCMMDZOJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-10(2,3)15-9(13)12-7-8(14-4)5-6-11/h8H,5-7,11H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-(4-amino-2-methoxybutyl)carbamate?
tert-butyl N-(4-amino-2-methoxybutyl)carbamate has a molecular weight of 218.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-2-methoxybutyl)carbamate is sourced from PubChem (CID 117273632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).