oxetan-3-yl 3-methylpyrrolidine-3-carboxylate

C9H15NO3 — CID 102606737

IUPACoxetan-3-yl 3-methylpyrrolidine-3-carboxylate
SMILESCC1(C(=O)OC2COC2)CCNC1
InChIInChI=1S/C9H15NO3/c1-9(2-3-10-6-9)8(11)13-7-4-12-5-7/h7,10H,2-6H2,1H3
InChIKeyHPQOOFLVXCEENX-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.07
Rot. Bonds2

About oxetan-3-yl 3-methylpyrrolidine-3-carboxylate

oxetan-3-yl 3-methylpyrrolidine-3-carboxylate (PubChem CID 102606737) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is oxetan-3-yl 3-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 3-methylpyrrolidine-3-carboxylate
PubChem CID102606737
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameoxetan-3-yl 3-methylpyrrolidine-3-carboxylate
SMILESCC1(C(=O)OC2COC2)CCNC1
InChIInChI=1S/C9H15NO3/c1-9(2-3-10-6-9)8(11)13-7-4-12-5-7/h7,10H,2-6H2,1H3
InChIKeyHPQOOFLVXCEENX-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxetan-3-yl 3-methylpiperidine-3-carboxylate
CID 102606693
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
CID 71756654
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
propyl 3-methylpyrrolidine-3-carboxylate
CID 63145112
(3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone
CID 107138363
(3,3,5-trimethylcyclohexyl) 4-methylpiperidine-4-carboxylate
CID 63123585
butyl 3-methylpyrrolidine-3-carboxylate
CID 63145158
2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116569850
N,3-dimethyl-N-(oxolan-3-yl)pyrrolidine-3-carboxamide
CID 82738226
2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570035
N,3-dimethyl-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 63139219

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 3-methylpyrrolidine-3-carboxylate?
The IUPAC name of oxetan-3-yl 3-methylpyrrolidine-3-carboxylate (CID 102606737) is oxetan-3-yl 3-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for oxetan-3-yl 3-methylpyrrolidine-3-carboxylate?
The canonical SMILES for oxetan-3-yl 3-methylpyrrolidine-3-carboxylate is CC1(C(=O)OC2COC2)CCNC1.
What is the InChIKey of oxetan-3-yl 3-methylpyrrolidine-3-carboxylate?
The InChIKey is HPQOOFLVXCEENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2-3-10-6-9)8(11)13-7-4-12-5-7/h7,10H,2-6H2,1H3.
What are the key properties of oxetan-3-yl 3-methylpyrrolidine-3-carboxylate?
oxetan-3-yl 3-methylpyrrolidine-3-carboxylate has a molecular weight of 185.22 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 3-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 102606737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).