2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid

C15H20N2O4 — CID 63219240

IUPAC2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid
SMILESCC1(C)CCCN1C(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C15H20N2O4/c1-15(2)8-3-9-17(15)14(21)16(10-13(19)20)11-4-6-12(18)7-5-11/h4-7,18H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyQTEMLPIIPYPVOB-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.28
Rot. Bonds3

About 2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid

2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid (PubChem CID 63219240) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid
PubChem CID63219240
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid
SMILESCC1(C)CCCN1C(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C15H20N2O4/c1-15(2)8-3-9-17(15)14(21)16(10-13(19)20)11-4-6-12(18)7-5-11/h4-7,18H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyQTEMLPIIPYPVOB-UHFFFAOYSA-N
XLogP2.28
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid?
The IUPAC name of 2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid (CID 63219240) is 2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid.
What is the SMILES notation for 2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid?
The canonical SMILES for 2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid is CC1(C)CCCN1C(=O)N(CC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid?
The InChIKey is QTEMLPIIPYPVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2)8-3-9-17(15)14(21)16(10-13(19)20)11-4-6-12(18)7-5-11/h4-7,18H,3,8-10H2,1-2H3,(H,19,20).
What are the key properties of 2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid?
2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid has a molecular weight of 292.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,2-dimethylpyrrolidine-1-carbonyl)-4-hydroxyanilino)acetic acid is sourced from PubChem (CID 63219240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).