tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate

C16H24N2O4 — CID 10957814

IUPACtert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate
SMILESCOCC1CCCN1C(=O)c1cccn1C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)18-10-6-8-13(18)14(19)17-9-5-7-12(17)11-21-4/h6,8,10,12H,5,7,9,11H2,1-4H3
InChIKeyOFFACEFITVGEBO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.52
Rot. Bonds3

About tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate

tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate (PubChem CID 10957814) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate
PubChem CID10957814
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate
SMILESCOCC1CCCN1C(=O)c1cccn1C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)18-10-6-8-13(18)14(19)17-9-5-7-12(17)11-21-4/h6,8,10,12H,5,7,9,11H2,1-4H3
InChIKeyOFFACEFITVGEBO-UHFFFAOYSA-N
XLogP2.52
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
6-[2-(methoxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 154764419
[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 74249087
5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 58714770
(2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 12714099
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085
tert-butyl 2-[(4-phenoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 69003420
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 56912025
tert-butyl (2S)-1-(1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 115535793
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid
CID 141091395
tert-butyl (2R)-2-[(4-methylphenyl)sulfonyloxymethyl]pyrrolidine-1-carboxylate
CID 11760051

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate (CID 10957814) is tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate is COCC1CCCN1C(=O)c1cccn1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate?
The InChIKey is OFFACEFITVGEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,3)22-15(20)18-10-6-8-13(18)14(19)17-9-5-7-12(17)11-21-4/h6,8,10,12H,5,7,9,11H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate?
tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate is sourced from PubChem (CID 10957814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).