1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate

C9H17NO4 — CID 64712692

IUPAC1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOCC(C)OC(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C9H17NO4/c1-6(5-13-2)14-9(12)8-3-7(11)4-10-8/h6-8,10-11H,3-5H2,1-2H3/t6?,7-,8-/m0/s1
InChIKeyWDIFOOXSYZMAIF-ALKRTJFJSA-N
MW203.24 g/mol
LogP-0.71
Rot. Bonds4

About 1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate

1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 64712692) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID64712692
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
SMILESCOCC(C)OC(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C9H17NO4/c1-6(5-13-2)14-9(12)8-3-7(11)4-10-8/h6-8,10-11H,3-5H2,1-2H3/t6?,7-,8-/m0/s1
InChIKeyWDIFOOXSYZMAIF-ALKRTJFJSA-N
XLogP-0.71
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

octan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64714614
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090
4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 65048907
2-(2-methoxyethoxy)ethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 104563509
2-(2-methylpropoxy)ethyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 106448237
2-propan-2-yloxyethyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 78999645
butyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63843699
4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide
CID 119795711
2-(3-methoxypropoxy)ethyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 103178746
1-phenylethyl (2S)-4-hydroxypyrrolidine-2-carboxylate
CID 61279063
4-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 82948394

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate (CID 64712692) is 1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate is COCC(C)OC(=O)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of 1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is WDIFOOXSYZMAIF-ALKRTJFJSA-N. The full InChI is InChI=1S/C9H17NO4/c1-6(5-13-2)14-9(12)8-3-7(11)4-10-8/h6-8,10-11H,3-5H2,1-2H3/t6?,7-,8-/m0/s1.
What are the key properties of 1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate?
1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 203.24 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 64712692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).