tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate

C12H24N2O2 — CID 174442745

IUPACtert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)N1CCCC1
InChIInChI=1S/C12H24N2O2/c1-10(14-7-5-6-8-14)9-13-11(15)16-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyFVSJBNKFFFRNDW-SNVBAGLBSA-N
MW228.34 g/mol
LogP2.00
Rot. Bonds3

About tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate

tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate (PubChem CID 174442745) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
PubChem CID174442745
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
SMILESC[C@H](CNC(=O)OC(C)(C)C)N1CCCC1
InChIInChI=1S/C12H24N2O2/c1-10(14-7-5-6-8-14)9-13-11(15)16-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyFVSJBNKFFFRNDW-SNVBAGLBSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate
CID 102729511
tert-butyl 3-(2-pyrrolidin-1-ylpropylamino)propanoate
CID 103259516
tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate
CID 103387657
tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate
CID 103816674
2-pyrrolidin-1-ylpropylurea
CID 112728366
tert-butyl 2-(2-piperidin-1-ylpropylcarbamoyl)pyrrolidine-1-carboxylate
CID 110620641
tert-butyl N-[2-[[N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883858
tert-butyl N-[2-[[N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111885039
tert-butyl N-[2-[[N'-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]carbamate
CID 111883887
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 113353389
tert-butyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 63789729
3-(tert-butylamino)-N-(2-piperidin-1-ylpropyl)propanamide
CID 54899224

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate (CID 174442745) is tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate is C[C@H](CNC(=O)OC(C)(C)C)N1CCCC1.
What is the InChIKey of tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate?
The InChIKey is FVSJBNKFFFRNDW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(14-7-5-6-8-14)9-13-11(15)16-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate?
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate is sourced from PubChem (CID 174442745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).