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

C17H30N2O2 — CID 79933142

IUPAC3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(CN2CC3CCCN3CC2C)(C(=O)O)C1
InChIInChI=1S/C17H30N2O2/c1-13-5-3-7-17(9-13,16(20)21)12-19-11-15-6-4-8-18(15)10-14(19)2/h13-15H,3-12H2,1-2H3,(H,20,21)
InChIKeyCDSGAVDZSYMQFZ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.44
Rot. Bonds3

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

3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 79933142) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID79933142
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(CN2CC3CCCN3CC2C)(C(=O)O)C1
InChIInChI=1S/C17H30N2O2/c1-13-5-3-7-17(9-13,16(20)21)12-19-11-15-6-4-8-18(15)10-14(19)2/h13-15H,3-12H2,1-2H3,(H,20,21)
InChIKeyCDSGAVDZSYMQFZ-UHFFFAOYSA-N
XLogP2.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-one
CID 79943883
2-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943596
1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cycloheptane-1-carbaldehyde
CID 79946281
1-[[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451775
2-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoic acid
CID 79938635
(E)-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)but-2-enoic acid
CID 79937996
[4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxan-4-yl]methanol
CID 79924665
3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 79620250
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
3,3-dimethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-2-one
CID 79943168
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
methyl 2-bromo-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoate
CID 81100436

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid (CID 79933142) is 3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid is CC1CCCC(CN2CC3CCCN3CC2C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is CDSGAVDZSYMQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13-5-3-7-17(9-13,16(20)21)12-19-11-15-6-4-8-18(15)10-14(19)2/h13-15H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid?
3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 294.44 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79933142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).