[(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate

C8H16N2O2 — CID 90890613

IUPAC[(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC[C@@H]1CCCN1
InChIInChI=1S/C8H16N2O2/c1-10(2)8(11)12-6-7-4-3-5-9-7/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyBCMVGUHJAAKUIC-ZETCQYMHSA-N
MW172.23 g/mol
LogP0.44
Rot. Bonds2

About [(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate

[(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate (PubChem CID 90890613) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate
PubChem CID90890613
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name[(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC[C@@H]1CCCN1
InChIInChI=1S/C8H16N2O2/c1-10(2)8(11)12-6-7-4-3-5-9-7/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyBCMVGUHJAAKUIC-ZETCQYMHSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride
CID 139649266
pyrrolidin-2-ylmethyl carbonochloridate
CID 175149666
ethyl pyrrolidin-2-ylmethyl carbonate
CID 79337609
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
cyclobutylmethyl N,N-dimethylcarbamate
CID 142239565
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074
[2-(aminomethyl)cyclohexyl]methyl N,N-dimethylcarbamate
CID 79337568
pyrrolidin-2-ylmethyl azepane-1-carboxylate
CID 79337608
1-pyrrolidin-2-ylpropan-2-one
CID 45085262
[(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate
CID 122191908
[(2R)-pyrrolidin-2-yl]methyl N-cyclohexylcarbamate
CID 97048112

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate?
The IUPAC name of [(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate (CID 90890613) is [(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate is CN(C)C(=O)OC[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate?
The InChIKey is BCMVGUHJAAKUIC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(2)8(11)12-6-7-4-3-5-9-7/h7,9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate?
[(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate has a molecular weight of 172.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 90890613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).