tert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

C12H20N2O3 — CID 134352744

IUPACtert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC1=CCN(C(=O)OC(C)(C)C)[C@H](C(N)=O)C1
InChIInChI=1S/C12H20N2O3/c1-8-5-6-14(9(7-8)10(13)15)11(16)17-12(2,3)4/h5,9H,6-7H2,1-4H3,(H2,13,15)/t9-/m0/s1
InChIKeyOCFIMRNKTYUXKN-VIFPVBQESA-N
MW240.30 g/mol
LogP1.43
Rot. Bonds1

About tert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 134352744) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID134352744
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC1=CCN(C(=O)OC(C)(C)C)[C@H](C(N)=O)C1
InChIInChI=1S/C12H20N2O3/c1-8-5-6-14(9(7-8)10(13)15)11(16)17-12(2,3)4/h5,9H,6-7H2,1-4H3,(H2,13,15)/t9-/m0/s1
InChIKeyOCFIMRNKTYUXKN-VIFPVBQESA-N
XLogP1.43
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R,6S)-3-((tert-butoxycarbonyl)(hydroxy)amino)-6-carbamoyl-4-methyl-3,6-dihydropyridine-1(2H)-carboxylate
CID 134352765
methyl N-cyclohex-2-en-1-yl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]carbamate
CID 139233974
tert-butyl N-[2-[acetyl(cyclohex-2-en-1-yl)amino]acetyl]carbamate
CID 139233976
1,1,4-trimethyl-3,6-dihydro-2H-pyridin-1-ium-2-carboxamide iodide
CID 24199603
tert-butyl N-(2-amino-1-cyclohexa-1,4-dien-1-yl-2-oxoethyl)carbamate
CID 20556986
(S)-tert-butyl 2-carbamoyl-4-methylenepyrrolidine-1-carboxylate
CID 58226718
tert-butyl N-[(2S)-4-methyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]carbamate
CID 59280400
Tert-butyl 2-carbamoyl-4-methylidenepyrrolidine-1-carboxylate
CID 66629943
tert-butyl N-[(7S)-6-oxo-2,3,4,7,8,10a-hexahydro-1H-pyrido[1,2-a]azepin-7-yl]carbamate
CID 68311222
tert-butyl N-[4-methyl-1-oxo-1-(prop-2-enylamino)pent-4-en-2-yl]carbamate
CID 72245215
tert-butyl N-(6-oxo-2,3,4,7,8,10a-hexahydro-1H-pyrido[1,2-a]azepin-7-yl)carbamate
CID 77475339
N-BOC-(R)-valyl-1,2,5,6-tetrahydropyridine
CID 86601531

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 134352744) is tert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is CC1=CCN(C(=O)OC(C)(C)C)[C@H](C(N)=O)C1.
What is the InChIKey of tert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is OCFIMRNKTYUXKN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-5-6-14(9(7-8)10(13)15)11(16)17-12(2,3)4/h5,9H,6-7H2,1-4H3,(H2,13,15)/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-carbamoyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 134352744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).