tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate

C12H24N2O3 — CID 165444188

IUPACtert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate
SMILESCCO[C@H]1CN[C@H](CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O3/c1-5-16-10-6-9(13-8-10)7-14-11(15)17-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10+/m0/s1
InChIKeyDUFROHIPQNFSNH-VHSXEESVSA-N
MW244.33 g/mol
LogP1.28
Rot. Bonds4

About tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate

tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate (PubChem CID 165444188) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate
PubChem CID165444188
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate
SMILESCCO[C@H]1CN[C@H](CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O3/c1-5-16-10-6-9(13-8-10)7-14-11(15)17-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10+/m0/s1
InChIKeyDUFROHIPQNFSNH-VHSXEESVSA-N
XLogP1.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(2S,4R)-4-(trifluoromethoxy)pyrrolidin-2-yl]methyl]carbamate
CID 175670752
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate
CID 97184307
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
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tert-butyl N-[[(3S,6S)-6-propylpiperidin-3-yl]methyl]carbamate
CID 99991642
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-2-yl]propanoic acid
CID 167343907
tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate
CID 170897306
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate
CID 22408679
tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
CID 97007606
tert-butyl N-[(4-propylpyrrolidin-3-yl)methyl]carbamate
CID 84801698

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate (CID 165444188) is tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate is CCO[C@H]1CN[C@H](CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate?
The InChIKey is DUFROHIPQNFSNH-VHSXEESVSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-16-10-6-9(13-8-10)7-14-11(15)17-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10+/m0/s1.
What are the key properties of tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate?
tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 165444188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).