[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate

C12H20N2O6 — CID 91309332

IUPAC[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCCC1OC(=O)O
InChIInChI=1S/C12H20N2O6/c1-12(2,3)20-10(16)13-7-8(15)14-6-4-5-9(14)19-11(17)18/h9H,4-7H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyJMJFTXBWUYUIRO-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.15
Rot. Bonds3

About [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate

[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate (PubChem CID 91309332) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate
PubChem CID91309332
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCCC1OC(=O)O
InChIInChI=1S/C12H20N2O6/c1-12(2,3)20-10(16)13-7-8(15)14-6-4-5-9(14)19-11(17)18/h9H,4-7H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyJMJFTXBWUYUIRO-UHFFFAOYSA-N
XLogP1.15
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-ethyl]carbamate
CID 471359
1-(Boc-amino-acetyl)-pyrrolidine
CID 17750350
butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate
CID 21193905
tert-butyl N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 68384127
tert-butyl N-[2-(4-hydroxybutylamino)-2-oxoethyl]carbamate
CID 87508847
tert-butyl N-(4-amino-1-hydroxybutyl)-N-[2-(4-hydroxybutylamino)-2-oxoethyl]carbamate
CID 87670007
[1-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] hydrogen carbonate
CID 91072364
[1-[3-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl] hydrogen carbonate
CID 91238621
tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane
CID 144106176
tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;ethane;N-methylformamide
CID 144633405
tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane
CID 162388275
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 162683399

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate?
The IUPAC name of [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate (CID 91309332) is [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate.
What is the SMILES notation for [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate?
The canonical SMILES for [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate is CC(C)(C)OC(=O)NCC(=O)N1CCCC1OC(=O)O.
What is the InChIKey of [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate?
The InChIKey is JMJFTXBWUYUIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-12(2,3)20-10(16)13-7-8(15)14-6-4-5-9(14)19-11(17)18/h9H,4-7H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate?
[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate has a molecular weight of 288.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate is sourced from PubChem (CID 91309332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).