methyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate

C11H18N2O3 — CID 134178602

IUPACmethyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C1CC(=O)N[C@H]1C
InChIInChI=1S/C11H18N2O3/c1-7-9(6-10(14)12-7)13-5-3-4-8(13)11(15)16-2/h7-9H,3-6H2,1-2H3,(H,12,14)/t7-,8-,9?/m0/s1
InChIKeyUDUNXCHTVDBEKF-JVIMKECRSA-N
MW226.28 g/mol
LogP-0.10
Rot. Bonds2

About methyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate

methyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate (PubChem CID 134178602) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate
PubChem CID134178602
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C1CC(=O)N[C@H]1C
InChIInChI=1S/C11H18N2O3/c1-7-9(6-10(14)12-7)13-5-3-4-8(13)11(15)16-2/h7-9H,3-6H2,1-2H3,(H,12,14)/t7-,8-,9?/m0/s1
InChIKeyUDUNXCHTVDBEKF-JVIMKECRSA-N
XLogP-0.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate (CID 134178602) is methyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C1CC(=O)N[C@H]1C.
What is the InChIKey of methyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate?
The InChIKey is UDUNXCHTVDBEKF-JVIMKECRSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7-9(6-10(14)12-7)13-5-3-4-8(13)11(15)16-2/h7-9H,3-6H2,1-2H3,(H,12,14)/t7-,8-,9?/m0/s1.
What are the key properties of methyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate has a molecular weight of 226.28 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[(2S)-2-methyl-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 134178602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).