[(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate

C8H13NO3 — CID 175097234

IUPAC[(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate
SMILESO=C(O[C@@H]1CC1O)N1CCCC1
InChIInChI=1S/C8H13NO3/c10-6-5-7(6)12-8(11)9-3-1-2-4-9/h6-7,10H,1-5H2/t6?,7-/m1/s1
InChIKeyWMCYXKDCUPSNIX-COBSHVIPSA-N
MW171.20 g/mol
LogP0.35
Rot. Bonds1

About [(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate

[(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate (PubChem CID 175097234) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is [(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate
PubChem CID175097234
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name[(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate
SMILESO=C(O[C@@H]1CC1O)N1CCCC1
InChIInChI=1S/C8H13NO3/c10-6-5-7(6)12-8(11)9-3-1-2-4-9/h6-7,10H,1-5H2/t6?,7-/m1/s1
InChIKeyWMCYXKDCUPSNIX-COBSHVIPSA-N
XLogP0.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate?
The IUPAC name of [(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate (CID 175097234) is [(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate?
The canonical SMILES for [(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate is O=C(O[C@@H]1CC1O)N1CCCC1.
What is the InChIKey of [(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate?
The InChIKey is WMCYXKDCUPSNIX-COBSHVIPSA-N. The full InChI is InChI=1S/C8H13NO3/c10-6-5-7(6)12-8(11)9-3-1-2-4-9/h6-7,10H,1-5H2/t6?,7-/m1/s1.
What are the key properties of [(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate?
[(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate is sourced from PubChem (CID 175097234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).