2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid

C15H20N2O4 — CID 104833768

IUPAC2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid
SMILESCC(C)C1CCCN1C(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C15H20N2O4/c1-9(2)12-7-4-8-17(12)15(21)16-11-6-3-5-10(13(11)18)14(19)20/h3,5-6,9,12,18H,4,7-8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyJVXCCDXRQZZAJP-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.74
Rot. Bonds3

About 2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid

2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid (PubChem CID 104833768) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid
PubChem CID104833768
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid
SMILESCC(C)C1CCCN1C(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C15H20N2O4/c1-9(2)12-7-4-8-17(12)15(21)16-11-6-3-5-10(13(11)18)14(19)20/h3,5-6,9,12,18H,4,7-8H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyJVXCCDXRQZZAJP-UHFFFAOYSA-N
XLogP2.74
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833568
2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102963077
3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid
CID 104832805
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833695
N-(2-ethyl-6-methylphenyl)-2-propan-2-ylpiperidine-1-carboxamide
CID 86800635
2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 104833442
2-hydroxy-3-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 104833689
(2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 99582464
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-propan-2-ylpyrrolidine-1-carboxamide
CID 48509510
3-(2-acetamidopropanoylamino)-2-hydroxybenzoic acid
CID 113458409
3-(butan-2-ylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833436
2-hydroxy-3-[[2-hydroxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 113458475

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid (CID 104833768) is 2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid is CC(C)C1CCCN1C(=O)Nc1cccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid?
The InChIKey is JVXCCDXRQZZAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9(2)12-7-4-8-17(12)15(21)16-11-6-3-5-10(13(11)18)14(19)20/h3,5-6,9,12,18H,4,7-8H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid?
2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 104833768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).