methyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate

C13H22N2O3 — CID 58088382

IUPACmethyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(C)CCCN1C(=O)CN1CCCC1
InChIInChI=1S/C13H22N2O3/c1-13(12(17)18-2)6-5-9-15(13)11(16)10-14-7-3-4-8-14/h3-10H2,1-2H3/t13-/m0/s1
InChIKeyUGGSLHFTEGOSIF-ZDUSSCGKSA-N
MW254.33 g/mol
LogP0.64
Rot. Bonds3

About methyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate

methyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate (PubChem CID 58088382) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate
PubChem CID58088382
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namemethyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(C)CCCN1C(=O)CN1CCCC1
InChIInChI=1S/C13H22N2O3/c1-13(12(17)18-2)6-5-9-15(13)11(16)10-14-7-3-4-8-14/h3-10H2,1-2H3/t13-/m0/s1
InChIKeyUGGSLHFTEGOSIF-ZDUSSCGKSA-N
XLogP0.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate (CID 58088382) is methyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate is COC(=O)[C@]1(C)CCCN1C(=O)CN1CCCC1.
What is the InChIKey of methyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate?
The InChIKey is UGGSLHFTEGOSIF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(12(17)18-2)6-5-9-15(13)11(16)10-14-7-3-4-8-14/h3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate?
methyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methyl-1-(2-pyrrolidin-1-ylacetyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 58088382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).