tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate

C13H26N2O2 — CID 75993976

IUPACtert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)CN1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)8-15-7-6-11(9-15)14-12(16)17-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyMKWVEGFRVLKKGA-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds3

About tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate

tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate (PubChem CID 75993976) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate
PubChem CID75993976
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate
SMILESCC(C)CN1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)8-15-7-6-11(9-15)14-12(16)17-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyMKWVEGFRVLKKGA-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277
tert-butyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66565985
tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349
ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
CID 142042736
tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate
CID 83981096
tert-butyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 111487928
methyl N-[1-[(2R)-2-hydroxypropyl]pyrrolidin-3-yl]carbamate
CID 106932880
tert-butyl N-[(3R)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]carbamate
CID 53256386
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate (CID 75993976) is tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate is CC(C)CN1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate?
The InChIKey is MKWVEGFRVLKKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)8-15-7-6-11(9-15)14-12(16)17-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,16).
What are the key properties of tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 75993976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).