(2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid

C9H12N2O4 — CID 129321650

IUPAC(2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1C[C@@H]2C(=O)NC(=O)[C@H]2C1
InChIInChI=1S/C9H12N2O4/c1-4(9(14)15)11-2-5-6(3-11)8(13)10-7(5)12/h4-6H,2-3H2,1H3,(H,14,15)(H,10,12,13)/t4-,5+,6+/m1/s1
InChIKeyRNROIKBCVGUSJL-SRQIZXRXSA-N
MW212.20 g/mol
LogP-1.34
Rot. Bonds2

About (2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid

(2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid (PubChem CID 129321650) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is (2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid
PubChem CID129321650
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name(2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1C[C@@H]2C(=O)NC(=O)[C@H]2C1
InChIInChI=1S/C9H12N2O4/c1-4(9(14)15)11-2-5-6(3-11)8(13)10-7(5)12/h4-6H,2-3H2,1H3,(H,14,15)(H,10,12,13)/t4-,5+,6+/m1/s1
InChIKeyRNROIKBCVGUSJL-SRQIZXRXSA-N
XLogP-1.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.34
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

(2R)-2-[(3aR,7aR)-1,3-dioxo-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridin-5-yl]propanoic acid
CID 129498259
(2R)-2-[(3aS,6aS)-5-ethyl-4,6-dioxo-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]propanoic acid
CID 129494398
(2R)-2-[(3aS,7aR)-1,3-dioxo-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridin-5-yl]butanoic acid
CID 129497922
(2R)-2-[(3aR,7aR)-1,3-dioxo-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridin-5-yl]butanoic acid
CID 129497923
(2R)-2-[(3aR,7aS)-1,3-dioxo-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridin-5-yl]butanoic acid
CID 129497920
2-(3,6-diazabicyclo[3.1.1]heptan-3-yl)propanoic acid
CID 84765770
2-(3,5-dimethylpiperidin-1-yl)propanoic acid
CID 20985542
(2S)-2-[(3S)-3-amino-2-oxoazetidin-1-yl]propanoic acid
CID 11435079
(2R)-2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]propanoic acid
CID 20672324
2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]propanoic acid
CID 131057852
2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid
CID 103535229
(2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid?
The IUPAC name of (2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid (CID 129321650) is (2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid is C[C@H](C(=O)O)N1C[C@@H]2C(=O)NC(=O)[C@H]2C1.
What is the InChIKey of (2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid?
The InChIKey is RNROIKBCVGUSJL-SRQIZXRXSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-4(9(14)15)11-2-5-6(3-11)8(13)10-7(5)12/h4-6H,2-3H2,1H3,(H,14,15)(H,10,12,13)/t4-,5+,6+/m1/s1.
What are the key properties of (2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid?
(2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid has a molecular weight of 212.20 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3aR,6aR)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl]propanoic acid is sourced from PubChem (CID 129321650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).