2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide

C13H18N4O4 — CID 10108491

IUPAC2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CC[C@@H](N2CC(=O)N3CCC[C@H]3C2=O)C1=O
InChIInChI=1S/C13H18N4O4/c14-10(18)6-15-5-3-9(12(15)20)17-7-11(19)16-4-1-2-8(16)13(17)21/h8-9H,1-7H2,(H2,14,18)/t8-,9+/m0/s1
InChIKeyNLFAWSYFHOAMBH-DTWKUNHWSA-N
MW294.31 g/mol
LogP-2.09
Rot. Bonds3

About 2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide

2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide (PubChem CID 10108491) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide
PubChem CID10108491
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CC[C@@H](N2CC(=O)N3CCC[C@H]3C2=O)C1=O
InChIInChI=1S/C13H18N4O4/c14-10(18)6-15-5-3-9(12(15)20)17-7-11(19)16-4-1-2-8(16)13(17)21/h8-9H,1-7H2,(H2,14,18)/t8-,9+/m0/s1
InChIKeyNLFAWSYFHOAMBH-DTWKUNHWSA-N
XLogP-2.09
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-2.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclo(Pro-Pro)
CID 529063
Cyclo(prolylprolyl)
CID 736756
(3R)-2-Oxo-3-[[(2S)-2-Pyrrolidinylcarbonyl]amino]-1-pyrrolidineacetamide
CID 44281634
(3R,9R)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 6932481
(3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 6542165
N-[(3S)-1-(2-amino-2-oxoethyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 44322196
Bacillusamide A
CID 50915221
(5aS,10aS)-Tetrahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-3,5,8,10(2H,5aH)-tetraone
CID 667651
2,5-Piperazinedione, 1-[[1-(2-pyrrolidinylcarbonyl)-2-pyrrolidinyl]carbonyl]-
CID 381836
3-(N-prolylamine)-2-oxo-1-pyrrolidineacetamide
CID 129409
1-[(4R,7S,8aS)-1-oxo-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-propan-2-ylurea
CID 26762149
3-[(4R,7S,8aS)-7-amino-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N,N-diethylpropanamide
CID 45360751

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide (CID 10108491) is 2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide is NC(=O)CN1CC[C@@H](N2CC(=O)N3CCC[C@H]3C2=O)C1=O.
What is the InChIKey of 2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide?
The InChIKey is NLFAWSYFHOAMBH-DTWKUNHWSA-N. The full InChI is InChI=1S/C13H18N4O4/c14-10(18)6-15-5-3-9(12(15)20)17-7-11(19)16-4-1-2-8(16)13(17)21/h8-9H,1-7H2,(H2,14,18)/t8-,9+/m0/s1.
What are the key properties of 2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide?
2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide has a molecular weight of 294.31 g/mol, XLogP of -2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 10108491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).