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

C11H19NO2 — CID 97290247

IUPACtert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC[C@H]1CCC=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO2/c1-9-7-5-6-8-12(9)10(13)14-11(2,3)4/h6,8-9H,5,7H2,1-4H3/t9-/m0/s1
InChIKeyRDLOVGLKQIICMT-VIFPVBQESA-N
MW197.28 g/mol
LogP2.92
Rot. Bonds

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

tert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 97290247) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID97290247
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC[C@H]1CCC=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO2/c1-9-7-5-6-8-12(9)10(13)14-11(2,3)4/h6,8-9H,5,7H2,1-4H3/t9-/m0/s1
InChIKeyRDLOVGLKQIICMT-VIFPVBQESA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10465102
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tert-butyl 2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101898071
N-Boc-3-methyldihydropyrrole
CID 67150753
(S)-tert-butyl methyl(pent-4-en-2-yl)carbamate
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tert-butyl (3S)-3-(fluoromethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 146323827
tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 14143447
tert-butyl N-formyl-N-hex-1-en-3-ylcarbamate
CID 73153427
tert-butyl (12Z)-1-azacyclotridec-12-ene-1-carboxylate
CID 101115967
Tert-butyl 2-but-3-enylaziridine-1-carboxylate
CID 121221950
Tert-butyl 4-ethenyl-2,3-dihydropyrrole-1-carboxylate
CID 129986945

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 97290247) is tert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is C[C@H]1CCC=CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is RDLOVGLKQIICMT-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO2/c1-9-7-5-6-8-12(9)10(13)14-11(2,3)4/h6,8-9H,5,7H2,1-4H3/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 97290247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).