tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate

C16H30N4O3 — CID 58688941

IUPACtert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)N(C)[C@@H]2CCNC2)C1
InChIInChI=1S/C16H30N4O3/c1-16(2,3)23-15(22)19(5)13-7-9-20(11-13)14(21)18(4)12-6-8-17-10-12/h12-13,17H,6-11H2,1-5H3/t12-,13+/m1/s1
InChIKeyYIUKASWFPUCKRT-OLZOCXBDSA-N
MW326.44 g/mol
LogP1.34
Rot. Bonds2

About tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate

tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate (PubChem CID 58688941) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate
PubChem CID58688941
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Nametert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)N(C)[C@@H]2CCNC2)C1
InChIInChI=1S/C16H30N4O3/c1-16(2,3)23-15(22)19(5)13-7-9-20(11-13)14(21)18(4)12-6-8-17-10-12/h12-13,17H,6-11H2,1-5H3/t12-,13+/m1/s1
InChIKeyYIUKASWFPUCKRT-OLZOCXBDSA-N
XLogP1.34
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine
CID 2761404
tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate
CID 45089548
tert-Butyl 3-(methylamino)pyrrolidine-1-carboxylate
CID 45089533
(S)-Methyl-pyrrolidin-3-yl-carbamic acid tert-butyl ester
CID 7171888
tert-butyl (3R)-3-(methylamino)pyrrolidine-1-carboxylate
CID 45089543
tert-Butyl 3-(propylamino)pyrrolidine-1-carboxylate
CID 50987929
tert-butyl N-ethyl-N-(pyrrolidin-3-yl)carbamate
CID 53404744
1,1-Dimethylethyl N-ethyl-N-(3S)-3-pyrrolidinylcarbamate
CID 57497863
Tert-butyl 3-(carbamoylamino)pyrrolidine-1-carboxylate
CID 72246446
tert-butyl N-[(2-oxoimidazolidin-4-yl)methyl]carbamate
CID 131188444
tert-butyl N-methyl-N-[2-(pyrrolidine-1-carbonylamino)ethyl]carbamate
CID 56801821
tert-Butyl methyl((3R)-pyrrolidin-3-yl)carbamate
CID 7019173

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate (CID 58688941) is tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)N(C)[C@@H]2CCNC2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate?
The InChIKey is YIUKASWFPUCKRT-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-16(2,3)23-15(22)19(5)13-7-9-20(11-13)14(21)18(4)12-6-8-17-10-12/h12-13,17H,6-11H2,1-5H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate?
tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate has a molecular weight of 326.44 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3S)-1-[methyl-[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 58688941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).