(3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

C10H15N3O3 — CID 129499770

IUPAC(3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
SMILESC[C@H](N)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@@H]2C1
InChIInChI=1S/C10H15N3O3/c1-5(11)8(14)13-3-6-7(4-13)10(16)12(2)9(6)15/h5-7H,3-4,11H2,1-2H3/t5-,6+,7+/m0/s1
InChIKeyUBVAMEUMBULTJC-RRKCRQDMSA-N
MW225.25 g/mol
LogP-1.59
Rot. Bonds1

About (3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione

(3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione (PubChem CID 129499770) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is (3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione.

Molecular Properties

Compound Name(3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
PubChem CID129499770
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name(3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
SMILESC[C@H](N)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@@H]2C1
InChIInChI=1S/C10H15N3O3/c1-5(11)8(14)13-3-6-7(4-13)10(16)12(2)9(6)15/h5-7H,3-4,11H2,1-2H3/t5-,6+,7+/m0/s1
InChIKeyUBVAMEUMBULTJC-RRKCRQDMSA-N
XLogP-1.59
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione 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

(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
CID 106669235
5-[(2S)-2-aminopropanoyl]-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
CID 155905722
2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid
CID 104892415
(3aR,6aR)-5-amino-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129497775
5-(2-aminoacetyl)-2-methyl-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridine-1,3-dione
CID 121202115
N-[1-[(2R)-2-aminopropanoyl]azetidin-3-yl]acetamide
CID 127008848
2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 131098043
(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
CID 63634392
(2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one
CID 129321535
4-(2-aminopropanoyl)piperazine-2,6-dione
CID 66084211

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The IUPAC name of (3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione (CID 129499770) is (3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione.
What is the SMILES notation for (3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The canonical SMILES for (3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione is C[C@H](N)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@@H]2C1.
What is the InChIKey of (3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
The InChIKey is UBVAMEUMBULTJC-RRKCRQDMSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5(11)8(14)13-3-6-7(4-13)10(16)12(2)9(6)15/h5-7H,3-4,11H2,1-2H3/t5-,6+,7+/m0/s1.
What are the key properties of (3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione?
(3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione has a molecular weight of 225.25 g/mol, XLogP of -1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-5-[(2S)-2-aminopropanoyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione is sourced from PubChem (CID 129499770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).