tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride

C10H21ClN2O2 — CID 86767490

IUPACtert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride
SMILESCC1(NC(=O)OC(C)(C)C)CCNC1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-9(2,3)14-8(13)12-10(4)5-6-11-7-10;/h11H,5-7H2,1-4H3,(H,12,13);1H
InChIKeyWZMVQVILSXAFCT-UHFFFAOYSA-N
MW236.74 g/mol
LogP1.68
Rot. Bonds1

About tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride

tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride (PubChem CID 86767490) has the molecular formula C10H21ClN2O2 and a molecular weight of 236.74 g/mol. Its IUPAC name is tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride
PubChem CID86767490
Molecular FormulaC10H21ClN2O2
Molecular Weight236.74 g/mol
Exact Mass236.13
IUPAC Nametert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride
SMILESCC1(NC(=O)OC(C)(C)C)CCNC1.Cl
InChIInChI=1S/C10H20N2O2.ClH/c1-9(2,3)14-8(13)12-10(4)5-6-11-7-10;/h11H,5-7H2,1-4H3,(H,12,13);1H
InChIKeyWZMVQVILSXAFCT-UHFFFAOYSA-N
XLogP1.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine
CID 2761404
(3S)-(-)-3-(tert-Butoxycarbonylamino)pyrrolidine
CID 1514396
tert-butyl [(3S)-1-cyanopyrrolidin-3-yl]carbamate
CID 59028747
tert-butyl N-((pyrrolidin-3-yl)methyl)carbamate
CID 4250767
(R)-(+)-1-Boc-3-aminopyrrolidine
CID 854070
(3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine
CID 1514397
tert-butyl N-(pyrrolidin-3-yl)carbamate
CID 2757234
tert-Butyl (R)-(1-cyanopyrrolidin-3-yl)carbamate
CID 70695553
tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate
CID 854071
1-Boc-3-aminopyrrolidine
CID 2756370
tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate
CID 45089548
tert-Butyl 3-(methylamino)pyrrolidine-1-carboxylate
CID 45089533

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride (CID 86767490) is tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride is CC1(NC(=O)OC(C)(C)C)CCNC1.Cl.
What is the InChIKey of tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride?
The InChIKey is WZMVQVILSXAFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.ClH/c1-9(2,3)14-8(13)12-10(4)5-6-11-7-10;/h11H,5-7H2,1-4H3,(H,12,13);1H.
What are the key properties of tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride?
tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride has a molecular weight of 236.74 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;hydrochloride is sourced from PubChem (CID 86767490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).