2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate

C11H21NO4 — CID 106448237

IUPAC2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
SMILESCC(C)COCCOC(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C11H21NO4/c1-8(2)7-15-3-4-16-11(14)10-5-9(13)6-12-10/h8-10,12-13H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyJCFKPQAQUCENPG-ZJUUUORDSA-N
MW231.29 g/mol
LogP-0.08
Rot. Bonds6

About 2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate

2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 106448237) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID106448237
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
SMILESCC(C)COCCOC(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C11H21NO4/c1-8(2)7-15-3-4-16-11(14)10-5-9(13)6-12-10/h8-10,12-13H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyJCFKPQAQUCENPG-ZJUUUORDSA-N
XLogP-0.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 104563509
2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 78999645
2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 103178746
butyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63843699
pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63842504
1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64712692
octyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 70134324
2-(2-methylpropoxy)ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 106448104
amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 159655489
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
CID 59197441
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of 2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate (CID 106448237) is 2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate is CC(C)COCCOC(=O)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of 2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is JCFKPQAQUCENPG-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(2)7-15-3-4-16-11(14)10-5-9(13)6-12-10/h8-10,12-13H,3-7H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of 2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate?
2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 231.29 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 106448237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).