ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate

C16H29N3O2 — CID 79931961

IUPACethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate
SMILESCCOC(=O)C(CN1CCN2CCCC2C1)(NC)C1CC1
InChIInChI=1S/C16H29N3O2/c1-3-21-15(20)16(17-2,13-6-7-13)12-18-9-10-19-8-4-5-14(19)11-18/h13-14,17H,3-12H2,1-2H3
InChIKeyBWCIQGJNTUMZAE-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.70
Rot. Bonds6

About ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate

ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate (PubChem CID 79931961) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate
PubChem CID79931961
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Nameethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate
SMILESCCOC(=O)C(CN1CCN2CCCC2C1)(NC)C1CC1
InChIInChI=1S/C16H29N3O2/c1-3-21-15(20)16(17-2,13-6-7-13)12-18-9-10-19-8-4-5-14(19)11-18/h13-14,17H,3-12H2,1-2H3
InChIKeyBWCIQGJNTUMZAE-UHFFFAOYSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate with MolForge

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Related Compounds

ethyl 2-cyclopropyl-2-(methylamino)-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910733
ethyl 2-cyclopropyl-3-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanoate
CID 106588689
ethyl 2-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63907702
2-cyclopropyl-2-(methylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
CID 63926418
ethyl 2-methyl-2-(methylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165779
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(cyclopropylamino)propanamide
CID 79932429
methyl 2-cyclopropyl-3-(3-ethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63911312
methyl 2-amino-2-cyclopropyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63925815
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-2-amine
CID 79942935
ethyl 3-(azepan-1-yl)-2-cyclopropyl-2-(ethylamino)propanoate
CID 63907858
ethyl 2-cyclopropyl-2-(ethylamino)-3-(4-ethylpiperazin-1-yl)propanoate
CID 63905558
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)pentan-3-ol
CID 115919450

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate?
The IUPAC name of ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate (CID 79931961) is ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate?
The canonical SMILES for ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate is CCOC(=O)C(CN1CCN2CCCC2C1)(NC)C1CC1.
What is the InChIKey of ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate?
The InChIKey is BWCIQGJNTUMZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-21-15(20)16(17-2,13-6-7-13)12-18-9-10-19-8-4-5-14(19)11-18/h13-14,17H,3-12H2,1-2H3.
What are the key properties of ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate?
ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate has a molecular weight of 295.43 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-cyclopropyl-2-(methylamino)propanoate is sourced from PubChem (CID 79931961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).