tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate

C14H22N2O3 — CID 20741396

IUPACtert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccco1)[C@@H]1CCNC1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-12(10-6-7-15-9-10)11-5-4-8-18-11/h4-5,8,10,12,15H,6-7,9H2,1-3H3,(H,16,17)/t10-,12?/m1/s1
InChIKeyJTBDNLLDILHUTL-RWANSRKNSA-N
MW266.34 g/mol
LogP2.45
Rot. Bonds3

About tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate

tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate (PubChem CID 20741396) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate
PubChem CID20741396
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccco1)[C@@H]1CCNC1
InChIInChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-12(10-6-7-15-9-10)11-5-4-8-18-11/h4-5,8,10,12,15H,6-7,9H2,1-3H3,(H,16,17)/t10-,12?/m1/s1
InChIKeyJTBDNLLDILHUTL-RWANSRKNSA-N
XLogP2.45
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R,2R)-1-(furan-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 170565124
tert-butyl N-[1-(furan-2-yl)-2-oxoethyl]carbamate
CID 130003969
tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate
CID 143050609
(2S)-2-(furan-2-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetic acid
CID 86309547
tert-butyl N-[(1S,2R)-3,3-difluoro-1-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 23236676
tert-butyl N-[(1S)-1-(furan-2-yl)-3-hydroxypropyl]carbamate
CID 50941092
tert-butyl N-[(4-chloro-1,2,5-thiadiazol-3-yl)-piperidin-4-ylmethyl]carbamate
CID 67388132
tert-butyl N-[azetidin-2-yl(phenyl)methyl]carbamate
CID 20795477
tert-butyl N-[[(S)-phenyl(piperidin-4-yl)methyl]amino]carbamate
CID 124679381
tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate
CID 52911112
dimethyl 2-fluoro-2-[(S)-furan-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanedioate
CID 154713410
tert-butyl N-[1-cyclopropyl-2-(furan-2-ylmethylamino)ethyl]carbamate
CID 103872258

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate (CID 20741396) is tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NC(c1ccco1)[C@@H]1CCNC1.
What is the InChIKey of tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate?
The InChIKey is JTBDNLLDILHUTL-RWANSRKNSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-12(10-6-7-15-9-10)11-5-4-8-18-11/h4-5,8,10,12,15H,6-7,9H2,1-3H3,(H,16,17)/t10-,12?/m1/s1.
What are the key properties of tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate?
tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[furan-2-yl-[(3R)-pyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 20741396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).