[(2S)-1-methylpyrrolidin-2-yl]methyl carbamate

C7H14N2O2 — CID 72545089

IUPAC[(2S)-1-methylpyrrolidin-2-yl]methyl carbamate
SMILESCN1CCC[C@H]1COC(N)=O
InChIInChI=1S/C7H14N2O2/c1-9-4-2-3-6(9)5-11-7(8)10/h6H,2-5H2,1H3,(H2,8,10)/t6-/m0/s1
InChIKeyJWNZFAVZLHKVEZ-LURJTMIESA-N
MW158.20 g/mol
LogP0.18
Rot. Bonds2

About [(2S)-1-methylpyrrolidin-2-yl]methyl carbamate

[(2S)-1-methylpyrrolidin-2-yl]methyl carbamate (PubChem CID 72545089) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(2S)-1-methylpyrrolidin-2-yl]methyl carbamate.

Molecular Properties

Compound Name[(2S)-1-methylpyrrolidin-2-yl]methyl carbamate
PubChem CID72545089
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name[(2S)-1-methylpyrrolidin-2-yl]methyl carbamate
SMILESCN1CCC[C@H]1COC(N)=O
InChIInChI=1S/C7H14N2O2/c1-9-4-2-3-6(9)5-11-7(8)10/h6H,2-5H2,1H3,(H2,8,10)/t6-/m0/s1
InChIKeyJWNZFAVZLHKVEZ-LURJTMIESA-N
XLogP0.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl carbamate?
The IUPAC name of [(2S)-1-methylpyrrolidin-2-yl]methyl carbamate (CID 72545089) is [(2S)-1-methylpyrrolidin-2-yl]methyl carbamate.
What is the SMILES notation for [(2S)-1-methylpyrrolidin-2-yl]methyl carbamate?
The canonical SMILES for [(2S)-1-methylpyrrolidin-2-yl]methyl carbamate is CN1CCC[C@H]1COC(N)=O.
What is the InChIKey of [(2S)-1-methylpyrrolidin-2-yl]methyl carbamate?
The InChIKey is JWNZFAVZLHKVEZ-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2/c1-9-4-2-3-6(9)5-11-7(8)10/h6H,2-5H2,1H3,(H2,8,10)/t6-/m0/s1.
What are the key properties of [(2S)-1-methylpyrrolidin-2-yl]methyl carbamate?
[(2S)-1-methylpyrrolidin-2-yl]methyl carbamate has a molecular weight of 158.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylpyrrolidin-2-yl]methyl carbamate is sourced from PubChem (CID 72545089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).