tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate

C10H22N2O3 — CID 63753489

IUPACtert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
SMILESCOCC(N)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-10(2,3)15-9(13)12(4)6-8(11)7-14-5/h8H,6-7,11H2,1-5H3
InChIKeyCRMJSOCIGYPGFK-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.83
Rot. Bonds4

About tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate

tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate (PubChem CID 63753489) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
PubChem CID63753489
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Nametert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
SMILESCOCC(N)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-10(2,3)15-9(13)12(4)6-8(11)7-14-5/h8H,6-7,11H2,1-5H3
InChIKeyCRMJSOCIGYPGFK-UHFFFAOYSA-N
XLogP0.83
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-methoxypropyl)-N,2,2-trimethylbutanamide
CID 63754024
tert-butyl N-[(2R,3S)-2-amino-3-hydroxy-4-methylpentyl]-N-methylcarbamate
CID 87303261
methyl 2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 86646376
tert-butyl N-(2-amino-3,3-difluoropropyl)-N-methylcarbamate
CID 105481712
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate
CID 166938037
N-(2-amino-3-methoxypropyl)-N,2-dimethylpropanamide
CID 63754189
tert-butyl N-[2-amino-3-(3-fluorocyclobutyl)propyl]-N-methylcarbamate
CID 70328210
tert-butyl N-(2-bromopropyl)-N-methylcarbamate
CID 114293384
tert-butyl N-(2-fluoropropyl)-N-methylcarbamate
CID 123325523
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate (CID 63753489) is tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate is COCC(N)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate?
The InChIKey is CRMJSOCIGYPGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-10(2,3)15-9(13)12(4)6-8(11)7-14-5/h8H,6-7,11H2,1-5H3.
What are the key properties of tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate?
tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate has a molecular weight of 218.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate is sourced from PubChem (CID 63753489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).