2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate

C10H19NO5 — CID 104563509

IUPAC2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOCCOCCOC(=O)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C10H19NO5/c1-14-2-3-15-4-5-16-10(13)9-6-8(12)7-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyQSRDYIKAVFDZRD-RKDXNWHRSA-N
MW233.26 g/mol
LogP-1.08
Rot. Bonds7

About 2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate

2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 104563509) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID104563509
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOCCOCCOC(=O)[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C10H19NO5/c1-14-2-3-15-4-5-16-10(13)9-6-8(12)7-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9-/m1/s1
InChIKeyQSRDYIKAVFDZRD-RKDXNWHRSA-N
XLogP-1.08
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 103178746
2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 106448237
butyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63843699
2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 78999645
pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63842504
octyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 70134324
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090
1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64712692
2-ethoxyethyl 4-methoxypyrrolidine-2-carboxylate
CID 61278622
amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 159655489
acetyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 72698583

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate (CID 104563509) is 2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate is COCCOCCOC(=O)[C@H]1C[C@@H](O)CN1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is QSRDYIKAVFDZRD-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19NO5/c1-14-2-3-15-4-5-16-10(13)9-6-8(12)7-11-9/h8-9,11-12H,2-7H2,1H3/t8-,9-/m1/s1.
What are the key properties of 2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate?
2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 233.26 g/mol, XLogP of -1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 104563509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).