2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid

C11H13N3O3 — CID 106197594

IUPAC2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid
SMILESNc1ccc(NC2CNC(=O)C2)cc1C(=O)O
InChIInChI=1S/C11H13N3O3/c12-9-2-1-6(3-8(9)11(16)17)14-7-4-10(15)13-5-7/h1-3,7,14H,4-5,12H2,(H,13,15)(H,16,17)
InChIKeyAESFSERRQMKSIL-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.27
Rot. Bonds3

About 2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid

2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid (PubChem CID 106197594) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid
PubChem CID106197594
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid
SMILESNc1ccc(NC2CNC(=O)C2)cc1C(=O)O
InChIInChI=1S/C11H13N3O3/c12-9-2-1-6(3-8(9)11(16)17)14-7-4-10(15)13-5-7/h1-3,7,14H,4-5,12H2,(H,13,15)(H,16,17)
InChIKeyAESFSERRQMKSIL-UHFFFAOYSA-N
XLogP0.27
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoate
CID 106197604
2-amino-5-(cyclooctylamino)benzoic acid
CID 60989029
4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one
CID 106198193
2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106183085
5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid
CID 106189904
2-chloro-5-[(5-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106191652
2-nitro-5-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661251
2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid
CID 62317637
2-amino-5-methoxy-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106179800
5-(4-amino-3-methoxyanilino)piperidin-2-one
CID 63675556
4-(4-amino-2-bromo-5-methylanilino)pyrrolidin-2-one
CID 106183183
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid?
The IUPAC name of 2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid (CID 106197594) is 2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid.
What is the SMILES notation for 2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid?
The canonical SMILES for 2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid is Nc1ccc(NC2CNC(=O)C2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid?
The InChIKey is AESFSERRQMKSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-9-2-1-6(3-8(9)11(16)17)14-7-4-10(15)13-5-7/h1-3,7,14H,4-5,12H2,(H,13,15)(H,16,17).
What are the key properties of 2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid?
2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid has a molecular weight of 235.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(5-oxopyrrolidin-3-yl)amino]benzoic acid is sourced from PubChem (CID 106197594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).