methyl 2,3,4,5-tetrahydropyridine-2-carboxylate

C7H11NO2 — CID 23118901

IUPACmethyl 2,3,4,5-tetrahydropyridine-2-carboxylate
SMILESCOC(=O)C1CCCC=N1
InChIInChI=1S/C7H11NO2/c1-10-7(9)6-4-2-3-5-8-6/h5-6H,2-4H2,1H3
InChIKeyNGPFJCIWSKIUTP-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.78
Rot. Bonds1

About methyl 2,3,4,5-tetrahydropyridine-2-carboxylate

methyl 2,3,4,5-tetrahydropyridine-2-carboxylate (PubChem CID 23118901) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl 2,3,4,5-tetrahydropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2,3,4,5-tetrahydropyridine-2-carboxylate
PubChem CID23118901
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl 2,3,4,5-tetrahydropyridine-2-carboxylate
SMILESCOC(=O)C1CCCC=N1
InChIInChI=1S/C7H11NO2/c1-10-7(9)6-4-2-3-5-8-6/h5-6H,2-4H2,1H3
InChIKeyNGPFJCIWSKIUTP-UHFFFAOYSA-N
XLogP0.78
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

delta1-Piperidine-6-carboxylic acid
CID 165067
(2S)-2,3,4,5-Tetrahydropyridine-2-carboxylic acid
CID 24771808
1-Piperideine-6-carboxylate
CID 5460090
1-Piperideine 6-carboxylate
CID 45266761
2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-, methyl ester
CID 14102690
(S)-Methyl 3-propyl-2H-azirine-2-carboxylate
CID 12141789
Methyl (2S)-3-propyl-2H-azirine-2-carboxylate
CID 15249128
ethyl (2S)-3-propyl-2H-azirine-2-carboxylate
CID 102445888
Methyl 2-(propan-2-ylideneamino)hexanoate
CID 11819747
methyl (2S)-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 14102691
methyl 5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 45086615
Methyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate
CID 56978658

Frequently Asked Questions

What is the IUPAC name of methyl 2,3,4,5-tetrahydropyridine-2-carboxylate?
The IUPAC name of methyl 2,3,4,5-tetrahydropyridine-2-carboxylate (CID 23118901) is methyl 2,3,4,5-tetrahydropyridine-2-carboxylate.
What is the SMILES notation for methyl 2,3,4,5-tetrahydropyridine-2-carboxylate?
The canonical SMILES for methyl 2,3,4,5-tetrahydropyridine-2-carboxylate is COC(=O)C1CCCC=N1.
What is the InChIKey of methyl 2,3,4,5-tetrahydropyridine-2-carboxylate?
The InChIKey is NGPFJCIWSKIUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-7(9)6-4-2-3-5-8-6/h5-6H,2-4H2,1H3.
What are the key properties of methyl 2,3,4,5-tetrahydropyridine-2-carboxylate?
methyl 2,3,4,5-tetrahydropyridine-2-carboxylate has a molecular weight of 141.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3,4,5-tetrahydropyridine-2-carboxylate is sourced from PubChem (CID 23118901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).