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

C11H11ClN2O3 — CID 106189904

IUPAC5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid
SMILESO=C1CC(Nc2ccc(Cl)cc2C(=O)O)CN1
InChIInChI=1S/C11H11ClN2O3/c12-6-1-2-9(8(3-6)11(16)17)14-7-4-10(15)13-5-7/h1-3,7,14H,4-5H2,(H,13,15)(H,16,17)
InChIKeyQIQOQQPNHWGHFU-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.34
Rot. Bonds3

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

5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid (PubChem CID 106189904) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid
PubChem CID106189904
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid
SMILESO=C1CC(Nc2ccc(Cl)cc2C(=O)O)CN1
InChIInChI=1S/C11H11ClN2O3/c12-6-1-2-9(8(3-6)11(16)17)14-7-4-10(15)13-5-7/h1-3,7,14H,4-5H2,(H,13,15)(H,16,17)
InChIKeyQIQOQQPNHWGHFU-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid (CID 106189904) is 5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid is O=C1CC(Nc2ccc(Cl)cc2C(=O)O)CN1.
What is the InChIKey of 5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid?
The InChIKey is QIQOQQPNHWGHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c12-6-1-2-9(8(3-6)11(16)17)14-7-4-10(15)13-5-7/h1-3,7,14H,4-5H2,(H,13,15)(H,16,17).
What are the key properties of 5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid?
5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid has a molecular weight of 254.67 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(5-oxopyrrolidin-3-yl)amino]benzoic acid is sourced from PubChem (CID 106189904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).