tert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate

C11H22N2O3 — CID 137480727

IUPACtert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate
SMILESCOC[C@@H]1CNC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-9-6-12-5-8(9)7-15-4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyLZLBLCIAPHNVFI-IUCAKERBSA-N
MW230.31 g/mol
LogP0.75
Rot. Bonds3

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

tert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate (PubChem CID 137480727) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate
PubChem CID137480727
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate
SMILESCOC[C@@H]1CNC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-9-6-12-5-8(9)7-15-4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1
InChIKeyLZLBLCIAPHNVFI-IUCAKERBSA-N
XLogP0.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
CID 166561133
tert-butyl N-[(3R,4S)-4-ethylpyrrolidin-3-yl]carbamate
CID 22880752
tert-butyl N-[(3R,4R)-4-ethylpyrrolidin-3-yl]carbamate
CID 22871836
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid
CID 137480787
tert-butyl N-[(4R)-4-fluoropyrrolidin-3-yl]carbamate
CID 166849692
tert-butyl N-(4-tert-butylpyrrolidin-3-yl)carbamate
CID 121207555
tert-butyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
CID 134813670
tert-butyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
CID 132585275
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732
tert-butyl N-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 155905095
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate (CID 137480727) is tert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate is COC[C@@H]1CNC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate?
The InChIKey is LZLBLCIAPHNVFI-IUCAKERBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-9-6-12-5-8(9)7-15-4/h8-9,12H,5-7H2,1-4H3,(H,13,14)/t8-,9-/m0/s1.
What are the key properties of tert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.75, 3 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-(methoxymethyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 137480727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).