(3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione

C10H9N3O4 — CID 7336293

IUPAC(3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione
SMILESN[C@H]1CC(=O)N(c2ccccc2[N+](=O)[O-])C1=O
InChIInChI=1S/C10H9N3O4/c11-6-5-9(14)12(10(6)15)7-3-1-2-4-8(7)13(16)17/h1-4,6H,5,11H2/t6-/m0/s1
InChIKeyYZQCBASAMUPCDK-LURJTMIESA-N
MW235.20 g/mol
LogP0.19
Rot. Bonds2

About (3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione

(3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione (PubChem CID 7336293) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is (3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione
PubChem CID7336293
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name(3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione
SMILESN[C@H]1CC(=O)N(c2ccccc2[N+](=O)[O-])C1=O
InChIInChI=1S/C10H9N3O4/c11-6-5-9(14)12(10(6)15)7-3-1-2-4-8(7)13(16)17/h1-4,6H,5,11H2/t6-/m0/s1
InChIKeyYZQCBASAMUPCDK-LURJTMIESA-N
XLogP0.19
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7336292
3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 3749980
(3S)-3-(N-hydroxyanilino)-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 7493754
4-amino-1-(2-nitrophenyl)pyrrolidin-2-one
CID 168700800
3-[1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
CID 43827049
4-(2-nitrophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 2844179
(2R)-2-amino-3-methyl-3-[(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbutanoic acid
CID 40608042
(3aS,4S,7R,7aR)-4,7-dimethyl-2-(2-nitrophenyl)-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 7127334
(1S,2S,6S,7S)-4-(2-nitrophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98048120
(1S,2R,6R,7S)-1,7,8,9,10,10-hexachloro-4-(2-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98120090
(1S,2S,6S,7R)-4-(2-nitrophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 11880190
(1S,2S,6S,7S)-1,7,8,9,10,10-hexachloro-4-(2-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98120088

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione (CID 7336293) is (3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione is N[C@H]1CC(=O)N(c2ccccc2[N+](=O)[O-])C1=O.
What is the InChIKey of (3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione?
The InChIKey is YZQCBASAMUPCDK-LURJTMIESA-N. The full InChI is InChI=1S/C10H9N3O4/c11-6-5-9(14)12(10(6)15)7-3-1-2-4-8(7)13(16)17/h1-4,6H,5,11H2/t6-/m0/s1.
What are the key properties of (3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione?
(3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione has a molecular weight of 235.20 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7336293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).