2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

C13H20N2O2 — CID 125453760

IUPAC2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)[C@H](C)c1nc2n(c1C(=O)O)CCCC2
InChIInChI=1S/C13H20N2O2/c1-8(2)9(3)11-12(13(16)17)15-7-5-4-6-10(15)14-11/h8-9H,4-7H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyPKZCPVNZFBBZJK-VIFPVBQESA-N
MW236.31 g/mol
LogP2.68
Rot. Bonds3

About 2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 125453760) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID125453760
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCC(C)[C@H](C)c1nc2n(c1C(=O)O)CCCC2
InChIInChI=1S/C13H20N2O2/c1-8(2)9(3)11-12(13(16)17)15-7-5-4-6-10(15)14-11/h8-9H,4-7H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyPKZCPVNZFBBZJK-VIFPVBQESA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-butan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 125451701
2-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82392180
2-amino-2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 83842555
3-bromo-2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83681530
2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbaldehyde
CID 83830229
2-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82123794
2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid
CID 62938208
2-(1-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
CID 131218475
2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid
CID 83883838
2-[2-(methylaminomethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 130399044
3-methyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)butanoic acid
CID 18072775
ethane;3-methyl-6,7,8,9-tetrahydropyrido[1,2-a][1,3,5]triazine-2,4-dione
CID 143847945

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (CID 125453760) is 2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is CC(C)[C@H](C)c1nc2n(c1C(=O)O)CCCC2.
What is the InChIKey of 2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is PKZCPVNZFBBZJK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)9(3)11-12(13(16)17)15-7-5-4-6-10(15)14-11/h8-9H,4-7H2,1-3H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 236.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-methylbutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 125453760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).