methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate

C12H16N2O3 — CID 101252038

IUPACmethyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)c1cccn1C
InChIInChI=1S/C12H16N2O3/c1-13-7-3-5-9(13)11(15)14-8-4-6-10(14)12(16)17-2/h3,5,7,10H,4,6,8H2,1-2H3/t10-/m0/s1
InChIKeyTUYUERLYKNCKPF-JTQLQIEISA-N
MW236.27 g/mol
LogP0.80
Rot. Bonds2

About methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate

methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 101252038) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID101252038
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)c1cccn1C
InChIInChI=1S/C12H16N2O3/c1-13-7-3-5-9(13)11(15)14-8-4-6-10(14)12(16)17-2/h3,5,7,10H,4,6,8H2,1-2H3/t10-/m0/s1
InChIKeyTUYUERLYKNCKPF-JTQLQIEISA-N
XLogP0.80
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 43409912
methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 114610715
(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 28741403
methyl 1-(4-chloro-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 43410189
methyl 1-[1-(1-methylpyrrole-2-carbonyl)-3-(prop-2-enylcarbamoylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 5180115
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 164631850
methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 79834097
methyl 1-(3-methylimidazole-4-carbonyl)piperidine-2-carboxylate
CID 103511735
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 1-butanoylpyrrolidine-2-carboxylate
CID 56528525
methyl (2S)-1-(3-chloro-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 139728189
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate (CID 101252038) is methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C(=O)c1cccn1C.
What is the InChIKey of methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is TUYUERLYKNCKPF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13-7-3-5-9(13)11(15)14-8-4-6-10(14)12(16)17-2/h3,5,7,10H,4,6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate?
methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 101252038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).