2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid

C11H16N4O2 — CID 62311866

IUPAC2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H16N4O2/c1-9(11(16)17)14-4-6-15(7-5-14)10-8-12-2-3-13-10/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChIKeyXTJNYNSFEZQGTQ-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.07
Rot. Bonds3

About 2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid

2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid (PubChem CID 62311866) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid
PubChem CID62311866
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C11H16N4O2/c1-9(11(16)17)14-4-6-15(7-5-14)10-8-12-2-3-13-10/h2-3,8-9H,4-7H2,1H3,(H,16,17)
InChIKeyXTJNYNSFEZQGTQ-UHFFFAOYSA-N
XLogP0.07
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-pyrazin-2-ylpiperazin-1-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

N-phenyl-2-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 18167936
(2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 124728108
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 94781788
(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 35012489
2-amino-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54872686
2-bromo-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54875491
2-phenyl-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 71322934
(2S)-2-(2-methoxy-5-methylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetic acid
CID 97193236
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
ethyl 2,4-dimethyl-5-[2-(4-pyrazin-2-ylpiperazin-1-yl)propanoyl]-1H-pyrrole-3-carboxylate
CID 43065815
2-(aminomethyl)-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 65227347

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid (CID 62311866) is 2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid is CC(C(=O)O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid?
The InChIKey is XTJNYNSFEZQGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-9(11(16)17)14-4-6-15(7-5-14)10-8-12-2-3-13-10/h2-3,8-9H,4-7H2,1H3,(H,16,17).
What are the key properties of 2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid?
2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid has a molecular weight of 236.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazin-2-ylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 62311866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).