2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid

C13H24N2O2 — CID 83042038

IUPAC2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CC2CCCN2CC1C
InChIInChI=1S/C13H24N2O2/c1-3-5-12(13(16)17)15-9-11-6-4-7-14(11)8-10(15)2/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyUDOBINZORUAEMD-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.41
Rot. Bonds4

About 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid

2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid (PubChem CID 83042038) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid
PubChem CID83042038
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CC2CCCN2CC1C
InChIInChI=1S/C13H24N2O2/c1-3-5-12(13(16)17)15-9-11-6-4-7-14(11)8-10(15)2/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyUDOBINZORUAEMD-UHFFFAOYSA-N
XLogP1.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-phenylbutan-1-one
CID 79929841
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
CID 78959403
3-methyl-2-(2-methylpentan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939609
4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide
CID 79940703
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 78959510
2-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoic acid
CID 79938635
2-(dicyclopropylmethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939998
3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
CID 104711092
3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentan-1-ol
CID 104840488
2-(2,5-dimethylpiperazin-1-yl)pentanoic acid
CID 83048854
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanehydrazide
CID 83047814
3-methyl-2-(2-methylbutan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931346

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid?
The IUPAC name of 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid (CID 83042038) is 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid.
What is the SMILES notation for 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid?
The canonical SMILES for 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid is CCCC(C(=O)O)N1CC2CCCN2CC1C.
What is the InChIKey of 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid?
The InChIKey is UDOBINZORUAEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-5-12(13(16)17)15-9-11-6-4-7-14(11)8-10(15)2/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid?
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid has a molecular weight of 240.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid is sourced from PubChem (CID 83042038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).