tert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride

C9H21ClN2O3 — CID 155978350

IUPACtert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride
SMILESCOC(CN)CNC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C9H20N2O3.ClH/c1-9(2,3)14-8(12)11-6-7(5-10)13-4;/h7H,5-6,10H2,1-4H3,(H,11,12);1H
InChIKeyRUJAYRCBYMOSHE-UHFFFAOYSA-N
MW240.73 g/mol
LogP0.91
Rot. Bonds4

About tert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride

tert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride (PubChem CID 155978350) has the molecular formula C9H21ClN2O3 and a molecular weight of 240.73 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride
PubChem CID155978350
Molecular FormulaC9H21ClN2O3
Molecular Weight240.73 g/mol
Exact Mass240.12
IUPAC Nametert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride
SMILESCOC(CN)CNC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C9H20N2O3.ClH/c1-9(2,3)14-8(12)11-6-7(5-10)13-4;/h7H,5-6,10H2,1-4H3,(H,11,12);1H
InChIKeyRUJAYRCBYMOSHE-UHFFFAOYSA-N
XLogP0.91
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl (3-aminopropyl)carbamate
CID 2735700
tert-butyl N-(2-hydroxypropyl)carbamate
CID 9920508
tert-Butyl N-(2-oxiranylmethyl)carbamate
CID 11062891
N-Boc-(S)-1-amino-2-propanol
CID 11789722
tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate
CID 12106198
tert-butyl N-(morpholin-2-ylmethyl)carbamate
CID 19081107
tert-butyl N-(3-(methylamino)propyl)carbamate
CID 11309987
1-[(Methoxycarbonyl)amino]propan-2-YL N-butylcarbamate
CID 4183002
tert-butyl N-{3-[(tert-butoxycarbonyl)amino]-2-hydroxypropyl}carbamate
CID 375632
tert-butyl N-[(1,4-oxazepan-2-yl)methyl]carbamate
CID 121553023
(S)-N-Boc-2,3-epoxypropylamine
CID 10080852
tert-butyl N-(3-amino-2-hydroxypropyl)carbamate
CID 10511887

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride (CID 155978350) is tert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride is COC(CN)CNC(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride?
The InChIKey is RUJAYRCBYMOSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3.ClH/c1-9(2,3)14-8(12)11-6-7(5-10)13-4;/h7H,5-6,10H2,1-4H3,(H,11,12);1H.
What are the key properties of tert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride?
tert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2-methoxypropyl)carbamate;hydrochloride is sourced from PubChem (CID 155978350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).