2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid

C17H30N2O5 — CID 22072444

IUPAC2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid
SMILESCOCC1(C2CCCN2C(=O)OC(C)(C)C)CCCCN1C(=O)O
InChIInChI=1S/C17H30N2O5/c1-16(2,3)24-15(22)18-10-7-8-13(18)17(12-23-4)9-5-6-11-19(17)14(20)21/h13H,5-12H2,1-4H3,(H,20,21)
InChIKeyYJOVAEFSTOYHFE-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.93
Rot. Bonds3

About 2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid

2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid (PubChem CID 22072444) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid
PubChem CID22072444
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Name2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid
SMILESCOCC1(C2CCCN2C(=O)OC(C)(C)C)CCCCN1C(=O)O
InChIInChI=1S/C17H30N2O5/c1-16(2,3)24-15(22)18-10-7-8-13(18)17(12-23-4)9-5-6-11-19(17)14(20)21/h13H,5-12H2,1-4H3,(H,20,21)
InChIKeyYJOVAEFSTOYHFE-UHFFFAOYSA-N
XLogP2.93
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl (2R)-2-[1-(hydroxymethyl)cyclopropyl]pyrrolidine-1-carboxylate
CID 156693185
tert-butyl 2-(1-aminocyclopentyl)pyrrolidine-1-carboxylate
CID 115071770
(2S)-2-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 125448977
2-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 131631787
tert-butyl 2-(1-aminocyclopropyl)azepane-1-carboxylate
CID 84708288
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;propane
CID 144591642
tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
tert-butyl (2S)-2-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
CID 72698658
(3aR,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylic acid
CID 99945788
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid (CID 22072444) is 2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid is COCC1(C2CCCN2C(=O)OC(C)(C)C)CCCCN1C(=O)O.
What is the InChIKey of 2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid?
The InChIKey is YJOVAEFSTOYHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-16(2,3)24-15(22)18-10-7-8-13(18)17(12-23-4)9-5-6-11-19(17)14(20)21/h13H,5-12H2,1-4H3,(H,20,21).
What are the key properties of 2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid?
2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid has a molecular weight of 342.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22072444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).