2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid

C7H11NO2 — CID 141211416

IUPAC2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCC=N1
InChIInChI=1S/C7H11NO2/c1-7(6(9)10)4-2-3-5-8-7/h5H,2-4H2,1H3,(H,9,10)
InChIKeyBVUWWESVILHAJF-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.08
Rot. Bonds1

About 2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid

2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid (PubChem CID 141211416) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid
PubChem CID141211416
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCC=N1
InChIInChI=1S/C7H11NO2/c1-7(6(9)10)4-2-3-5-8-7/h5H,2-4H2,1H3,(H,9,10)
InChIKeyBVUWWESVILHAJF-UHFFFAOYSA-N
XLogP1.08
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-amino-6-(2-aminoethylideneamino)-2-methylhexanoic acid
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(2S)-6-amino-2-(2-aminoethylideneamino)-2-methylhexanoic acid
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2,3,4,5-tetrahydro-2-Pyridinecarboxylic acid hydrochloride
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6,6-dimethyl-4,5-dihydro-3H-pyridine-3-carboxylic acid
CID 91239666
3,4,5,6-tetrahydro-2H-azepine-6-carboxylic acid
CID 141524713
2-Methyl-2-(methylideneamino)hexanoic acid
CID 156032271
4,5-dihydro-3H-pyridine-2,2-dicarboxylic acid
CID 174986330
2-(Ethylideneamino)-2-methylpentanoic acid
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2H-Pyrrole-2-carboxylic acid, 3,4-dihydro-2,5-dimethyl-
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid?
The IUPAC name of 2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid (CID 141211416) is 2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid?
The canonical SMILES for 2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid is CC1(C(=O)O)CCCC=N1.
What is the InChIKey of 2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid?
The InChIKey is BVUWWESVILHAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-7(6(9)10)4-2-3-5-8-7/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid?
2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-3H-pyridine-2-carboxylic acid is sourced from PubChem (CID 141211416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).