[(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate

C7H14N2O2 — CID 122191908

IUPAC[(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC[C@H]1C[C@H]1N
InChIInChI=1S/C7H14N2O2/c1-9(2)7(10)11-4-5-3-6(5)8/h5-6H,3-4,8H2,1-2H3/t5-,6-/m1/s1
InChIKeyBJQZFRDIRCAVNS-PHDIDXHHSA-N
MW158.20 g/mol
LogP0.03
Rot. Bonds2

About [(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate

[(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate (PubChem CID 122191908) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate
PubChem CID122191908
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name[(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC[C@H]1C[C@H]1N
InChIInChI=1S/C7H14N2O2/c1-9(2)7(10)11-4-5-3-6(5)8/h5-6H,3-4,8H2,1-2H3/t5-,6-/m1/s1
InChIKeyBJQZFRDIRCAVNS-PHDIDXHHSA-N
XLogP0.03
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 ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate?
The IUPAC name of [(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate (CID 122191908) is [(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate.
What is the SMILES notation for [(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate?
The canonical SMILES for [(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate is CN(C)C(=O)OC[C@H]1C[C@H]1N.
What is the InChIKey of [(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate?
The InChIKey is BJQZFRDIRCAVNS-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-9(2)7(10)11-4-5-3-6(5)8/h5-6H,3-4,8H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of [(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate?
[(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate has a molecular weight of 158.20 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-aminocyclopropyl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 122191908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).