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

C14H26N4O3 — CID 58024990

IUPACtert-butyl N-[(3R)-1-[[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)N[C@@H]2CCNC2)C1
InChIInChI=1S/C14H26N4O3/c1-14(2,3)21-13(20)17-11-5-7-18(9-11)12(19)16-10-4-6-15-8-10/h10-11,15H,4-9H2,1-3H3,(H,16,19)(H,17,20)/t10-,11-/m1/s1
InChIKeyONNIUXBNGLXCDT-GHMZBOCLSA-N
MW298.39 g/mol
LogP0.66
Rot. Bonds2

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

tert-butyl N-[(3R)-1-[[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate (PubChem CID 58024990) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate
PubChem CID58024990
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Nametert-butyl N-[(3R)-1-[[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)N[C@@H]2CCNC2)C1
InChIInChI=1S/C14H26N4O3/c1-14(2,3)21-13(20)17-11-5-7-18(9-11)12(19)16-10-4-6-15-8-10/h10-11,15H,4-9H2,1-3H3,(H,16,19)(H,17,20)/t10-,11-/m1/s1
InChIKeyONNIUXBNGLXCDT-GHMZBOCLSA-N
XLogP0.66
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine
CID 2761404
(3S)-(-)-3-(tert-Butoxycarbonylamino)pyrrolidine
CID 1514396
tert-butyl [(3S)-1-cyanopyrrolidin-3-yl]carbamate
CID 59028747
(3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine
CID 1514397
tert-butyl N-(pyrrolidin-3-yl)carbamate
CID 2757234
tert-Butyl (R)-(1-cyanopyrrolidin-3-yl)carbamate
CID 70695553
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate (CID 58024990) is tert-butyl N-[(3R)-1-[[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)N[C@@H]2CCNC2)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-[[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate?
The InChIKey is ONNIUXBNGLXCDT-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-14(2,3)21-13(20)17-11-5-7-18(9-11)12(19)16-10-4-6-15-8-10/h10-11,15H,4-9H2,1-3H3,(H,16,19)(H,17,20)/t10-,11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate has a molecular weight of 298.39 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[[(3R)-pyrrolidin-3-yl]carbamoyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 58024990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).