tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate

C14H26N2O2 — CID 84804757

IUPACtert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1CCNC1C1CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-7-11-6-8-15-12(11)10-4-5-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyVHYTUCVCXOPFSJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.29
Rot. Bonds4

About tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate

tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate (PubChem CID 84804757) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate
PubChem CID84804757
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1CCNC1C1CC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-7-11-6-8-15-12(11)10-4-5-10/h10-12,15H,4-9H2,1-3H3,(H,16,17)
InChIKeyVHYTUCVCXOPFSJ-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate
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butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689
tert-butyl N-[[2-(2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
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tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate
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tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate
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tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate (CID 84804757) is tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCC1CCNC1C1CC1.
What is the InChIKey of tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate?
The InChIKey is VHYTUCVCXOPFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-9-7-11-6-8-15-12(11)10-4-5-10/h10-12,15H,4-9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate?
tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate is sourced from PubChem (CID 84804757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).