tert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate

C14H20N2O4 — CID 137457824

IUPACtert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate
SMILESCO[C@H]1CC1n1cccc(NC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-9-6-5-7-16(12(9)17)10-8-11(10)19-4/h5-7,10-11H,8H2,1-4H3,(H,15,18)/t10?,11-/m0/s1
InChIKeyOKWWDAXLZUUNLY-DTIOYNMSSA-N
MW280.32 g/mol
LogP2.16
Rot. Bonds3

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

tert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 137457824) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate
PubChem CID137457824
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate
SMILESCO[C@H]1CC1n1cccc(NC(=O)OC(C)(C)C)c1=O
InChIInChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-9-6-5-7-16(12(9)17)10-8-11(10)19-4/h5-7,10-11H,8H2,1-4H3,(H,15,18)/t10?,11-/m0/s1
InChIKeyOKWWDAXLZUUNLY-DTIOYNMSSA-N
XLogP2.16
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate with MolForge

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Related Compounds

2-(3-(((Tert-butoxy)carbonyl)amino)-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 2755970
tert-butyl N-[1-[(2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate
CID 137457644
tert-butyl N-[1-(2-fluorocyclopropyl)-2-oxo-3-pyridinyl]carbamate
CID 137457804
tert-butyl N-[1-[(1R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate
CID 139373602
tert-butyl N-[1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate
CID 139383914
tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate
CID 146560055
tert-butyl N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]carbamate
CID 168971995
Ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-1-pyridinyl]acetate
CID 22943403
Tert-butyl 2-[2-oxo-3-(prop-2-enoxycarbonylamino)-1-pyridinyl]acetate
CID 22943470
tert-butyl (2S)-2-[3-(methoxycarbonylamino)-2-oxo-1-pyridinyl]butanoate
CID 68318223
1-(2-Cyclopropyloxyethyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449430
1-(2-Methoxycyclopropyl)-3-(methylamino)pyridin-2-one
CID 137449558

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate (CID 137457824) is tert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate is CO[C@H]1CC1n1cccc(NC(=O)OC(C)(C)C)c1=O.
What is the InChIKey of tert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate?
The InChIKey is OKWWDAXLZUUNLY-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)15-9-6-5-7-16(12(9)17)10-8-11(10)19-4/h5-7,10-11H,8H2,1-4H3,(H,15,18)/t10?,11-/m0/s1.
What are the key properties of tert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate?
tert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 280.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2S)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 137457824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).