methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate

C10H19NO2 — CID 167396219

IUPACmethyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](C)N1C(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)11-8(3)5-6-9(11)10(12)13-4/h7-9H,5-6H2,1-4H3/t8-,9-/m0/s1
InChIKeyGLAFHKBMKXVBLZ-IUCAKERBSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds2

About methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate

methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate (PubChem CID 167396219) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate
PubChem CID167396219
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](C)N1C(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)11-8(3)5-6-9(11)10(12)13-4/h7-9H,5-6H2,1-4H3/t8-,9-/m0/s1
InChIKeyGLAFHKBMKXVBLZ-IUCAKERBSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
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dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate (CID 167396219) is methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate is COC(=O)[C@@H]1CC[C@H](C)N1C(C)C.
What is the InChIKey of methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate?
The InChIKey is GLAFHKBMKXVBLZ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)11-8(3)5-6-9(11)10(12)13-4/h7-9H,5-6H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate?
methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,5S)-5-methyl-1-propan-2-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 167396219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).