5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione

C10H15N3O3 — CID 155905722

IUPAC5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
SMILESC[C@H](N)C(=O)N1CCC2C(=O)NC(=O)C2C1
InChIInChI=1S/C10H15N3O3/c1-5(11)10(16)13-3-2-6-7(4-13)9(15)12-8(6)14/h5-7H,2-4,11H2,1H3,(H,12,14,15)/t5-,6?,7?/m0/s1
InChIKeyRZRWVUHJRJVRHS-VTSJMVTISA-N
MW225.25 g/mol
LogP-1.55
Rot. Bonds1

About 5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione

5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 155905722) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID155905722
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
SMILESC[C@H](N)C(=O)N1CCC2C(=O)NC(=O)C2C1
InChIInChI=1S/C10H15N3O3/c1-5(11)10(16)13-3-2-6-7(4-13)9(15)12-8(6)14/h5-7H,2-4,11H2,1H3,(H,12,14,15)/t5-,6?,7?/m0/s1
InChIKeyRZRWVUHJRJVRHS-VTSJMVTISA-N
XLogP-1.55
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129499770
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
(2R)-2-[(3aR,7aR)-1,3-dioxo-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridin-5-yl]propanoic acid
CID 129498259
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
(3aS,7aR)-5-(3-chloropropanoyl)-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
CID 129496124
(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
CID 130747616
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
2-amino-1-(3-methylsulfanylpyrrolidin-1-yl)propan-1-one
CID 131181690
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-aminopropan-1-one
CID 43620385
1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
CID 113353831

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione (CID 155905722) is 5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione is C[C@H](N)C(=O)N1CCC2C(=O)NC(=O)C2C1.
What is the InChIKey of 5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is RZRWVUHJRJVRHS-VTSJMVTISA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5(11)10(16)13-3-2-6-7(4-13)9(15)12-8(6)14/h5-7H,2-4,11H2,1H3,(H,12,14,15)/t5-,6?,7?/m0/s1.
What are the key properties of 5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione?
5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 225.25 g/mol, XLogP of -1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 155905722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).