tert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate

C14H22N2O3 — CID 129493172

IUPACtert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate
SMILESCc1ccc([C@@H]2CNC[C@@H]2NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C14H22N2O3/c1-9-5-6-12(18-9)10-7-15-8-11(10)16-13(17)19-14(2,3)4/h5-6,10-11,15H,7-8H2,1-4H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyGIKDBHULHZGVOK-MNOVXSKESA-N
MW266.34 g/mol
LogP2.17
Rot. Bonds2

About tert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate (PubChem CID 129493172) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate
PubChem CID129493172
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nametert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate
SMILESCc1ccc([C@@H]2CNC[C@@H]2NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C14H22N2O3/c1-9-5-6-12(18-9)10-7-15-8-11(10)16-13(17)19-14(2,3)4/h5-6,10-11,15H,7-8H2,1-4H3,(H,16,17)/t10-,11+/m1/s1
InChIKeyGIKDBHULHZGVOK-MNOVXSKESA-N
XLogP2.17
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(5-bromofuran-2-yl)pyrrolidin-3-yl]carbamate
CID 121199439
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 95240515
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(3R,4S)-4-(2-fluoro-5-methylphenyl)pyrrolidin-3-yl]carbamate
CID 66691976
tert-butyl N-[(3S,4R)-4-(3,4-difluorophenyl)pyrrolidin-3-yl]carbamate
CID 123677655
tert-butyl N-[(3S,4S)-4-(1,3-benzodioxol-5-yl)pyrrolidin-3-yl]carbamate
CID 129408277
tert-butyl N-[(3S,4R)-4-(3-bromophenyl)pyrrolidin-3-yl]carbamate
CID 57366582
tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate
CID 121207555
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)piperidin-3-yl]carbamate
CID 140853603
tert-butyl N-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 155905095
tert-butyl N-[(4R)-4-fluoropyrrolidin-3-yl]carbamate
CID 166849692
tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate
CID 122360424

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate (CID 129493172) is tert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate is Cc1ccc([C@@H]2CNC[C@@H]2NC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is GIKDBHULHZGVOK-MNOVXSKESA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-5-6-12(18-9)10-7-15-8-11(10)16-13(17)19-14(2,3)4/h5-6,10-11,15H,7-8H2,1-4H3,(H,16,17)/t10-,11+/m1/s1.
What are the key properties of tert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 129493172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).