3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid

C13H19N3O2 — CID 95804870

IUPAC3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid
SMILESCN1CCC[C@@H](c2cnc(CCC(=O)O)cn2)C1
InChIInChI=1S/C13H19N3O2/c1-16-6-2-3-10(9-16)12-8-14-11(7-15-12)4-5-13(17)18/h7-8,10H,2-6,9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeySDHFWRFLNWAFPI-SNVBAGLBSA-N
MW249.31 g/mol
LogP1.30
Rot. Bonds4

About 3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid

3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid (PubChem CID 95804870) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid
PubChem CID95804870
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid
SMILESCN1CCC[C@@H](c2cnc(CCC(=O)O)cn2)C1
InChIInChI=1S/C13H19N3O2/c1-16-6-2-3-10(9-16)12-8-14-11(7-15-12)4-5-13(17)18/h7-8,10H,2-6,9H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeySDHFWRFLNWAFPI-SNVBAGLBSA-N
XLogP1.30
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic 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

3-[5-(1-methylpiperidin-4-yl)pyrazin-2-yl]propanoic acid
CID 73439559
3-[6-[(3S)-1-methylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 95804855
3-[5-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]propanoic acid
CID 66510110
N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide
CID 95826583
N,N-dimethyl-3-[6-[(3R)-1-methylpiperidin-3-yl]-2-pyridinyl]propanamide
CID 95842659
[5-(1-methylpiperidin-3-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 110255712
3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 124938907
3-(5-methylpyrazin-2-yl)propanoic acid
CID 82414330
3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115083507
3-[6-[1-[(1,4-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]-2-pyridinyl]propanoic acid
CID 110258280
N-(2-amino-2-oxoethyl)-3-[6-(1-methylpiperidin-3-yl)-2-pyridinyl]propanamide
CID 110258164
3-[2-methyl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-4-yl]propanoic acid
CID 110256796

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid?
The IUPAC name of 3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid (CID 95804870) is 3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid is CN1CCC[C@@H](c2cnc(CCC(=O)O)cn2)C1.
What is the InChIKey of 3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid?
The InChIKey is SDHFWRFLNWAFPI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-6-2-3-10(9-16)12-8-14-11(7-15-12)4-5-13(17)18/h7-8,10H,2-6,9H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid?
3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3R)-1-methylpiperidin-3-yl]pyrazin-2-yl]propanoic acid is sourced from PubChem (CID 95804870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).