tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate

C15H22N2O4 — CID 137450708

IUPACtert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn([C@@H]2CCC[C@@H]2O)c1=O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)16-10-6-5-9-17(13(10)19)11-7-4-8-12(11)18/h5-6,9,11-12,18H,4,7-8H2,1-3H3,(H,16,20)/t11-,12+/m1/s1
InChIKeyRVZBTDDQZWXTIX-NEPJUHHUSA-N
MW294.35 g/mol
LogP2.28
Rot. Bonds2

About tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 137450708) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID137450708
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccn([C@@H]2CCC[C@@H]2O)c1=O
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)16-10-6-5-9-17(13(10)19)11-7-4-8-12(11)18/h5-6,9,11-12,18H,4,7-8H2,1-3H3,(H,16,20)/t11-,12+/m1/s1
InChIKeyRVZBTDDQZWXTIX-NEPJUHHUSA-N
XLogP2.28
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S,2S)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one
CID 137449051
1-[(1R,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one
CID 137449056
1-[(1S,2R)-2-methoxycyclopentyl]-3-(methylamino)pyridin-2-one
CID 137449069
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(methylamino)pyridin-2-one
CID 137449088
tert-butyl N-[1-[(2R)-2-methoxycyclopentyl]-2-oxo-3-pyridinyl]carbamate
CID 137450070
tert-butyl N-[1-[(2S)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]carbamate
CID 137450636
tert-butyl N-[1-[(1R,2S)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
CID 137450818
3-amino-1-[(1R,2S)-2-hydroxycyclopentyl]pyridin-2-one
CID 137450914
3-amino-1-[(1S,2R)-2-hydroxycyclopentyl]pyridin-2-one
CID 137457484
tert-butyl N-[1-[(1S,2R)-2-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
CID 137457648
tert-butyl N-[1-[(1R,3R)-3-hydroxycyclohexyl]-2-oxo-3-pyridinyl]carbamate
CID 137457755
1-[(1R,2S)-2-hydroxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one
CID 139373548

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate (CID 137450708) is tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn([C@@H]2CCC[C@@H]2O)c1=O.
What is the InChIKey of tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is RVZBTDDQZWXTIX-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(20)16-10-6-5-9-17(13(10)19)11-7-4-8-12(11)18/h5-6,9,11-12,18H,4,7-8H2,1-3H3,(H,16,20)/t11-,12+/m1/s1.
What are the key properties of tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1R,2S)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137450708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).