3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid

C14H21N3O2 — CID 114080504

IUPAC3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid
SMILESCc1nccnc1C(C)N1CCC(CCC(=O)O)C1
InChIInChI=1S/C14H21N3O2/c1-10-14(16-7-6-15-10)11(2)17-8-5-12(9-17)3-4-13(18)19/h6-7,11-12H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyLGTFCIBUNIAVTH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.03
Rot. Bonds5

About 3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid

3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid (PubChem CID 114080504) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid
PubChem CID114080504
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid
SMILESCc1nccnc1C(C)N1CCC(CCC(=O)O)C1
InChIInChI=1S/C14H21N3O2/c1-10-14(16-7-6-15-10)11(2)17-8-5-12(9-17)3-4-13(18)19/h6-7,11-12H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyLGTFCIBUNIAVTH-UHFFFAOYSA-N
XLogP2.03
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid (CID 114080504) is 3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid is Cc1nccnc1C(C)N1CCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid?
The InChIKey is LGTFCIBUNIAVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-14(16-7-6-15-10)11(2)17-8-5-12(9-17)3-4-13(18)19/h6-7,11-12H,3-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid?
3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(3-methylpyrazin-2-yl)ethyl]pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 114080504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).