2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid

C10H17NO2 — CID 175724654

IUPAC2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)CC1CCC=CN1C(=O)O
InChIInChI=1S/C10H17NO2/c1-8(2)7-9-5-3-4-6-11(9)10(12)13/h4,6,8-9H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyPPDJPMWIROZBRG-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.69
Rot. Bonds2

About 2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid

2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175724654) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175724654
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESCC(C)CC1CCC=CN1C(=O)O
InChIInChI=1S/C10H17NO2/c1-8(2)7-9-5-3-4-6-11(9)10(12)13/h4,6,8-9H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyPPDJPMWIROZBRG-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl (2R)-2-propyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 93233748
1-acetyl-3,4-dihydro-2H-pyridine-2-carboxylic acid
CID 18793388
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
CID 95380643
4-[[[2-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019638
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
2-[(Z)-3-hydroxy-3-[[(Z)-1-hydroxy-4-methylpent-1-enyl]amino]prop-2-enyl]azetidine-1-carboxylic acid
CID 162423091
3-[[2-(2-methylpropyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 122028646
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
3-[2-(2-methylpropyl)azepan-1-yl]propanoic acid
CID 119137915
1-[(3S)-6-methyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazin-4-yl]ethanone
CID 135068041
2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentanoic acid
CID 114994714
4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 21062067

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid (CID 175724654) is 2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid is CC(C)CC1CCC=CN1C(=O)O.
What is the InChIKey of 2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is PPDJPMWIROZBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)7-9-5-3-4-6-11(9)10(12)13/h4,6,8-9H,3,5,7H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3,4-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175724654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).