2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate

C11H21NO5 — CID 103178746

IUPAC2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOCCCOCCOC(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C11H21NO5/c1-15-3-2-4-16-5-6-17-11(14)10-7-9(13)8-12-10/h9-10,12-13H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyYUCHPNDZYQLWTP-UWVGGRQHSA-N
MW247.29 g/mol
LogP-0.69
Rot. Bonds8

About 2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate

2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 103178746) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID103178746
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOCCCOCCOC(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C11H21NO5/c1-15-3-2-4-16-5-6-17-11(14)10-7-9(13)8-12-10/h9-10,12-13H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyYUCHPNDZYQLWTP-UWVGGRQHSA-N
XLogP-0.69
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.69
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-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 104563509
butyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63843699
2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 106448237
pentyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63842504
2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 78999645
octyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 70134324
3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate
CID 103403172
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090
2-ethoxyethyl 4-methoxypyrrolidine-2-carboxylate
CID 61278622
amino (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 159655489
2-(3-methoxypropoxy)ethyl carbonochloridate
CID 103176615

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate (CID 103178746) is 2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate is COCCCOCCOC(=O)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is YUCHPNDZYQLWTP-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21NO5/c1-15-3-2-4-16-5-6-17-11(14)10-7-9(13)8-12-10/h9-10,12-13H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of 2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 247.29 g/mol, XLogP of -0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 103178746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).