N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide

C17H30N4O3 — CID 171155509

IUPACN-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1CC(C)(C)C
InChIInChI=1S/C17H30N4O3/c1-11(22)18-7-15-16(24)21-8-13(19-12(2)23)6-14(21)9-20(15)10-17(3,4)5/h13-15H,6-10H2,1-5H3,(H,18,22)(H,19,23)/t13-,14-,15-/m0/s1
InChIKeyPMVVEGNXFVQBRT-KKUMJFAQSA-N
MW338.45 g/mol
LogP-0.04
Rot. Bonds4

About N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide

N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide (PubChem CID 171155509) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide
PubChem CID171155509
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC NameN-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1CC(C)(C)C
InChIInChI=1S/C17H30N4O3/c1-11(22)18-7-15-16(24)21-8-13(19-12(2)23)6-14(21)9-20(15)10-17(3,4)5/h13-15H,6-10H2,1-5H3,(H,18,22)(H,19,23)/t13-,14-,15-/m0/s1
InChIKeyPMVVEGNXFVQBRT-KKUMJFAQSA-N
XLogP-0.04
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide with MolForge

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Related Compounds

cyclo(L-Pro-L-Val)
CID 6992261
Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-
CID 98951
(3R,8aS)-Hexahydro-3-(1-methylethyl)pyrrolo(1,2-a)pyrazine-1,4-dione
CID 927560
Cyclo(D-Pro-L-Val)
CID 6992260
Cyclo(D)-Pro-(D)-Val
CID 6545869
Bacillusamide A
CID 50915221
3-Methyl-octahydropyrrolo(1,2-a)piperazin-4-one
CID 117529490
N-[(4R,7S,8aS)-4-[3-(diethylamino)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]cyclopropanecarboxamide
CID 25339251
(3S,8aS)-3-propyl-octahydropyrrolo(1,2-a)pyrazine-1,4-dione
CID 46941921
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
3-[2-(2,5-dimethylpyrrolidin-1-yl)propanoylamino]-N-ethyl-2,2-dimethylpropanamide
CID 84591130
N-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 22521939

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide (CID 171155509) is N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide is CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1CC(C)(C)C.
What is the InChIKey of N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide?
The InChIKey is PMVVEGNXFVQBRT-KKUMJFAQSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-11(22)18-7-15-16(24)21-8-13(19-12(2)23)6-14(21)9-20(15)10-17(3,4)5/h13-15H,6-10H2,1-5H3,(H,18,22)(H,19,23)/t13-,14-,15-/m0/s1.
What are the key properties of N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide?
N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,7S,8aS)-7-acetamido-2-(2,2-dimethylpropyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]acetamide is sourced from PubChem (CID 171155509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).