2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate

C10H19NO3 — CID 69229435

IUPAC2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate
SMILESCC(C)COC(=O)[C@@H]1CC(O)CN1C
InChIInChI=1S/C10H19NO3/c1-7(2)6-14-10(13)9-4-8(12)5-11(9)3/h7-9,12H,4-6H2,1-3H3/t8?,9-/m0/s1
InChIKeyDHPIZCJAGPJAAN-GKAPJAKFSA-N
MW201.27 g/mol
LogP0.25
Rot. Bonds3

About 2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate

2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate (PubChem CID 69229435) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate
PubChem CID69229435
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate
SMILESCC(C)COC(=O)[C@@H]1CC(O)CN1C
InChIInChI=1S/C10H19NO3/c1-7(2)6-14-10(13)9-4-8(12)5-11(9)3/h7-9,12H,4-6H2,1-3H3/t8?,9-/m0/s1
InChIKeyDHPIZCJAGPJAAN-GKAPJAKFSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of 2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate (CID 69229435) is 2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for 2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for 2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate is CC(C)COC(=O)[C@@H]1CC(O)CN1C.
What is the InChIKey of 2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate?
The InChIKey is DHPIZCJAGPJAAN-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)6-14-10(13)9-4-8(12)5-11(9)3/h7-9,12H,4-6H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of 2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate?
2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 69229435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).