oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate

C10H17NO3 — CID 170767880

IUPACoxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate
SMILESCC1CCN(C(=O)OC2COC2)C1C
InChIInChI=1S/C10H17NO3/c1-7-3-4-11(8(7)2)10(12)14-9-5-13-6-9/h7-9H,3-6H2,1-2H3
InChIKeyGCYUDECZBNARLE-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.25
Rot. Bonds1

About oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate

oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate (PubChem CID 170767880) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate
PubChem CID170767880
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameoxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate
SMILESCC1CCN(C(=O)OC2COC2)C1C
InChIInChI=1S/C10H17NO3/c1-7-3-4-11(8(7)2)10(12)14-9-5-13-6-9/h7-9H,3-6H2,1-2H3
InChIKeyGCYUDECZBNARLE-UHFFFAOYSA-N
XLogP1.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-oxetan-3-yl (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 130734937
2-amino-1-(2,3-dimethylpyrrolidin-1-yl)ethanone
CID 130932525
cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone
CID 130944377
2,2-dichloro-1-(2,3-dimethylpyrrolidin-1-yl)propan-1-one
CID 130667060
cyclopropyl (4aR,7aS)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine-4-carboxylate
CID 166272620
tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate
CID 100654289
N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide
CID 126989361
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
oxetan-3-yl 2-bromopropanoate
CID 119054235
cyclohexyl 3-ethylmorpholine-4-carboxylate
CID 70843806
[4-(aminomethyl)oxan-4-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120937073
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 67085705

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate (CID 170767880) is oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate is CC1CCN(C(=O)OC2COC2)C1C.
What is the InChIKey of oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate?
The InChIKey is GCYUDECZBNARLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-3-4-11(8(7)2)10(12)14-9-5-13-6-9/h7-9H,3-6H2,1-2H3.
What are the key properties of oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate?
oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 170767880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).