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

C16H28N4O4 — CID 26762041

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-propan-2-ylpropanamide
SMILESCOCC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)NC(C)C)N2C1
InChIInChI=1S/C16H28N4O4/c1-10(2)18-14(21)5-4-12-7-17-16(23)13-6-11(8-20(12)13)19-15(22)9-24-3/h10-13H,4-9H2,1-3H3,(H,17,23)(H,18,21)(H,19,22)/t11-,12+,13-/m0/s1
InChIKeySDLYZKUCAMEVAA-XQQFMLRXSA-N
MW340.42 g/mol
LogP-1.00
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-propan-2-ylpropanamide

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 (PubChem CID 26762041) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 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-propan-2-ylpropanamide.

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-propan-2-ylpropanamide
PubChem CID26762041
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
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-propan-2-ylpropanamide
SMILESCOCC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)NC(C)C)N2C1
InChIInChI=1S/C16H28N4O4/c1-10(2)18-14(21)5-4-12-7-17-16(23)13-6-11(8-20(12)13)19-15(22)9-24-3/h10-13H,4-9H2,1-3H3,(H,17,23)(H,18,21)(H,19,22)/t11-,12+,13-/m0/s1
InChIKeySDLYZKUCAMEVAA-XQQFMLRXSA-N
XLogP-1.00
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-1.00
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-propan-2-ylpropanamide with MolForge

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Related Compounds

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
1-[(4R,7S,8aS)-4-(3-morpholin-4-yl-3-oxopropyl)-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-propan-2-ylurea
CID 26762675
N-(2-Methoxyethyl)-5-oxo-1-(piperidin-4-YL)pyrrolidine-2-carboxamide
CID 86820482
(8aS)-3-Methoxyhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 15383655
(2S,4R)-4-amino-N,N-diethyl-1-(methoxyacetyl)pyrrolidine-2-carboxamide
CID 56706730
(2S,4S)-4-amino-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolidine-2-carboxamide
CID 56707334
(2S,4S)-4-amino-1-(butoxyacetyl)-N-isopropylpyrrolidine-2-carboxamide
CID 56703245
N-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 122176455
[(2S,4S)-4-(dimethylamino)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 58006996
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

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-propan-2-ylpropanamide?
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-propan-2-ylpropanamide (CID 26762041) 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-propan-2-ylpropanamide.
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-propan-2-ylpropanamide?
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-propan-2-ylpropanamide is COCC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)NC(C)C)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-propan-2-ylpropanamide?
The InChIKey is SDLYZKUCAMEVAA-XQQFMLRXSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-10(2)18-14(21)5-4-12-7-17-16(23)13-6-11(8-20(12)13)19-15(22)9-24-3/h10-13H,4-9H2,1-3H3,(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-propan-2-ylpropanamide?
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 has a molecular weight of 340.42 g/mol, XLogP of -1.00, 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-propan-2-ylpropanamide is sourced from PubChem (CID 26762041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).