3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid

C11H19NO3 — CID 131140839

IUPAC3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC1=C(C)CN(CC(C)(O)C(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-8-4-5-12(6-9(8)2)7-11(3,15)10(13)14/h15H,4-7H2,1-3H3,(H,13,14)
InChIKeyNVRXPOJKHNZSGX-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.86
Rot. Bonds3

About 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid

3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid (PubChem CID 131140839) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid
PubChem CID131140839
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCC1=C(C)CN(CC(C)(O)C(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-8-4-5-12(6-9(8)2)7-11(3,15)10(13)14/h15H,4-7H2,1-3H3,(H,13,14)
InChIKeyNVRXPOJKHNZSGX-UHFFFAOYSA-N
XLogP0.86
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 114509649
3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 79689744
2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid
CID 81096611
3-(3,3-dimethyl-2-oxopyrrolidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 130581644
3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 104645103
3-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-hydroxy-2-methylpropanoic acid
CID 123994647
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylbutanoic acid
CID 62271000
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid
CID 81474873
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
CID 62272475
3-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-2-hydroxy-2-methylpropanoic acid
CID 79873562
3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 113463092
(2S)-2-hydroxy-2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid
CID 95374823

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid (CID 131140839) is 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid is CC1=C(C)CN(CC(C)(O)C(=O)O)CC1.
What is the InChIKey of 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is NVRXPOJKHNZSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-4-5-12(6-9(8)2)7-11(3,15)10(13)14/h15H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid?
3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 213.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 131140839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).