3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide

C16H26N4O4 — CID 26762722

IUPAC3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide
SMILESCOCC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)NC3CC3)N2C1
InChIInChI=1S/C16H26N4O4/c1-24-9-15(22)19-11-6-13-16(23)17-7-12(20(13)8-11)4-5-14(21)18-10-2-3-10/h10-13H,2-9H2,1H3,(H,17,23)(H,18,21)(H,19,22)/t11-,12+,13-/m0/s1
InChIKeyQRSXAEZFICENBV-XQQFMLRXSA-N
MW338.41 g/mol
LogP-1.25
Rot. Bonds7

About 3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide

3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide (PubChem CID 26762722) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide
PubChem CID26762722
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide
SMILESCOCC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)NC3CC3)N2C1
InChIInChI=1S/C16H26N4O4/c1-24-9-15(22)19-11-6-13-16(23)17-7-12(20(13)8-11)4-5-14(21)18-10-2-3-10/h10-13H,2-9H2,1H3,(H,17,23)(H,18,21)(H,19,22)/t11-,12+,13-/m0/s1
InChIKeyQRSXAEZFICENBV-XQQFMLRXSA-N
XLogP-1.25
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide with MolForge

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Related Compounds

(8aS)-3-Methoxyhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 15383655
(2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide
CID 56707334
3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-propan-2-ylpropanamide
CID 26762041
N-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 68845927
N-[1-(2-methoxyacetyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 68845929
1-(2-methoxyethyl)-N-piperidin-4-yl-N-propylpyrrolidine-2-carboxamide
CID 71024381
(2S)-N-[1-(2-methoxyacetyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 71133178
(2S)-N,N-dimethylpyrrolidine-2-carboxamide;ethane;morpholin-3-one;piperidin-2-one
CID 145026759
2-methoxy-N-(3-methyl-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)acetamide
CID 3385223
2-methoxy-N-(2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-8-yl)acetamide
CID 3701586
N-(1,4-dioxo-3-propan-2-yl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide
CID 3836746
N-(3,3-dimethyl-1,4-dioxo-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-8-yl)-2-methoxyacetamide
CID 5151573

Frequently Asked Questions

What is the IUPAC name of 3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide (CID 26762722) is 3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide is COCC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)NC3CC3)N2C1.
What is the InChIKey of 3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide?
The InChIKey is QRSXAEZFICENBV-XQQFMLRXSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-24-9-15(22)19-11-6-13-16(23)17-7-12(20(13)8-11)4-5-14(21)18-10-2-3-10/h10-13H,2-9H2,1H3,(H,17,23)(H,18,21)(H,19,22)/t11-,12+,13-/m0/s1.
What are the key properties of 3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide?
3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide has a molecular weight of 338.41 g/mol, XLogP of -1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R,7S,8aS)-7-[(2-methoxyacetyl)amino]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 26762722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).