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

C13H25N3O2 — CID 79943465

IUPACmethyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate
SMILESCOC(=O)C(N)CCN1CC2CCCN2CC1C
InChIInChI=1S/C13H25N3O2/c1-10-8-16-6-3-4-11(16)9-15(10)7-5-12(14)13(17)18-2/h10-12H,3-9,14H2,1-2H3
InChIKeyRPRYCGNGHPNCIB-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.05
Rot. Bonds4

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

methyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate (PubChem CID 79943465) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate
PubChem CID79943465
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Namemethyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate
SMILESCOC(=O)C(N)CCN1CC2CCCN2CC1C
InChIInChI=1S/C13H25N3O2/c1-10-8-16-6-3-4-11(16)9-15(10)7-5-12(14)13(17)18-2/h10-12H,3-9,14H2,1-2H3
InChIKeyRPRYCGNGHPNCIB-UHFFFAOYSA-N
XLogP0.05
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 2-bromo-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoate
CID 81100436
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-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
methyl 2,2-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoate
CID 79938716
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-amine
CID 79943167
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-one
CID 79943883
methyl 2-amino-4-(3-methylpiperidin-1-yl)butanoate
CID 63028190
6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propan-2-ylhexan-1-amine
CID 79945340
2-methyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(methylamino)pentanamide
CID 79945366
methyl 2-amino-4-(4-methylazepan-1-yl)butanoate
CID 63623785
2-(ethylamino)-2-methyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid
CID 79931921
1-cyclopropyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 79938013

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate?
The IUPAC name of methyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate (CID 79943465) is methyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate.
What is the SMILES notation for methyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate?
The canonical SMILES for methyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate is COC(=O)C(N)CCN1CC2CCCN2CC1C.
What is the InChIKey of methyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate?
The InChIKey is RPRYCGNGHPNCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10-8-16-6-3-4-11(16)9-15(10)7-5-12(14)13(17)18-2/h10-12H,3-9,14H2,1-2H3.
What are the key properties of methyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate?
methyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate has a molecular weight of 255.36 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanoate is sourced from PubChem (CID 79943465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).