ethane;methanol;methyl pyrrolidine-2-carboxylate

C9H21NO3 — CID 144894204

IUPACethane;methanol;methyl pyrrolidine-2-carboxylate
SMILESCC.CO.COC(=O)C1CCCN1
InChIInChI=1S/C6H11NO2.C2H6.CH4O/c1-9-6(8)5-3-2-4-7-5;2*1-2/h5,7H,2-4H2,1H3;1-2H3;2H,1H3
InChIKeyJRPDWWILTJOJOD-UHFFFAOYSA-N
MW191.27 g/mol
LogP0.55
Rot. Bonds1

About ethane;methanol;methyl pyrrolidine-2-carboxylate

ethane;methanol;methyl pyrrolidine-2-carboxylate (PubChem CID 144894204) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is ethane;methanol;methyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethane;methanol;methyl pyrrolidine-2-carboxylate
PubChem CID144894204
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Nameethane;methanol;methyl pyrrolidine-2-carboxylate
SMILESCC.CO.COC(=O)C1CCCN1
InChIInChI=1S/C6H11NO2.C2H6.CH4O/c1-9-6(8)5-3-2-4-7-5;2*1-2/h5,7H,2-4H2,1H3;1-2H3;2H,1H3
InChIKeyJRPDWWILTJOJOD-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 161244397
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
methyl 1,4-diazepane-2-carboxylate
CID 45358161
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
CID 123220286
CID 123220286
[(2R)-pyrrolidin-2-yl] (2R)-pyrrolidine-2-carboxylate
CID 162533154
propan-2-yl (2R)-piperidine-2-carboxylate
CID 10197895
acetylene;6-bromo-4-methoxy-1,2-dihydropyridine;ethane;methyl (2S)-pyrrolidine-2-carboxylate
CID 143671508
CID 175049313
CID 175049313
methyl (2S)-aziridine-2-carboxylate
CID 10329257
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
ethylcarbamoyl (2S)-pyrrolidine-2-carboperoxoate
CID 140558917

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;methyl pyrrolidine-2-carboxylate?
The IUPAC name of ethane;methanol;methyl pyrrolidine-2-carboxylate (CID 144894204) is ethane;methanol;methyl pyrrolidine-2-carboxylate.
What is the SMILES notation for ethane;methanol;methyl pyrrolidine-2-carboxylate?
The canonical SMILES for ethane;methanol;methyl pyrrolidine-2-carboxylate is CC.CO.COC(=O)C1CCCN1.
What is the InChIKey of ethane;methanol;methyl pyrrolidine-2-carboxylate?
The InChIKey is JRPDWWILTJOJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H6.CH4O/c1-9-6(8)5-3-2-4-7-5;2*1-2/h5,7H,2-4H2,1H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;methyl pyrrolidine-2-carboxylate?
ethane;methanol;methyl pyrrolidine-2-carboxylate has a molecular weight of 191.27 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;methyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 144894204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).