methyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate

C9H15NO2 — CID 155858437

IUPACmethyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CCN[C@H]1C1CC1
InChIInChI=1S/C9H15NO2/c1-12-9(11)7-4-5-10-8(7)6-2-3-6/h6-8,10H,2-5H2,1H3/t7-,8+/m1/s1
InChIKeyLVDRZMITORESSJ-SFYZADRCSA-N
MW169.22 g/mol
LogP0.55
Rot. Bonds2

About methyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate

methyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate (PubChem CID 155858437) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate
PubChem CID155858437
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CCN[C@H]1C1CC1
InChIInChI=1S/C9H15NO2/c1-12-9(11)7-4-5-10-8(7)6-2-3-6/h6-8,10H,2-5H2,1H3/t7-,8+/m1/s1
InChIKeyLVDRZMITORESSJ-SFYZADRCSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate?
The IUPAC name of methyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate (CID 155858437) is methyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate is COC(=O)[C@@H]1CCN[C@H]1C1CC1.
What is the InChIKey of methyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate?
The InChIKey is LVDRZMITORESSJ-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15NO2/c1-12-9(11)7-4-5-10-8(7)6-2-3-6/h6-8,10H,2-5H2,1H3/t7-,8+/m1/s1.
What are the key properties of methyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate?
methyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-cyclopropylpyrrolidine-3-carboxylate is sourced from PubChem (CID 155858437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).