tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate

C14H21N3O2 — CID 131747678

IUPACtert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(c2cccnc2)C1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)16-11-6-8-17(10-11)12-5-4-7-15-9-12/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyIRVZNMBQLNPQFT-NSHDSACASA-N
MW263.34 g/mol
LogP2.18
Rot. Bonds2

About tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate (PubChem CID 131747678) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
PubChem CID131747678
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nametert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(c2cccnc2)C1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)16-11-6-8-17(10-11)12-5-4-7-15-9-12/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyIRVZNMBQLNPQFT-NSHDSACASA-N
XLogP2.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-pyridin-3-ylpiperidin-3-yl)carbamate;1-pyridin-3-ylpiperidin-3-amine
CID 167592653
tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate
CID 142553553
tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate
CID 118542685
tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 121204853
tert-butyl N-[1-(4-formylphenyl)pyrrolidin-3-yl]carbamate
CID 91755325
tert-butyl N-[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]carbamate
CID 178166297
tert-butyl N-[(3R)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 165092295
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]carbamate;molecular hydrogen
CID 145321014
tert-butyl N-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]carbamate;sulfur dioxide
CID 165075706
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate;ethane
CID 143755854
tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate
CID 21334263

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate (CID 131747678) is tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCN(c2cccnc2)C1.
What is the InChIKey of tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate?
The InChIKey is IRVZNMBQLNPQFT-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)16-11-6-8-17(10-11)12-5-4-7-15-9-12/h4-5,7,9,11H,6,8,10H2,1-3H3,(H,16,18)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate has a molecular weight of 263.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 131747678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).