2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide

C11H15N3O3 — CID 106673191

IUPAC2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide
SMILESNC(=O)c1cccc(N2CC(O)C(O)C2)c1N
InChIInChI=1S/C11H15N3O3/c12-10-6(11(13)17)2-1-3-7(10)14-4-8(15)9(16)5-14/h1-3,8-9,15-16H,4-5,12H2,(H2,13,17)
InChIKeySETXPJOHSWXKDI-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.09
Rot. Bonds2

About 2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide

2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide (PubChem CID 106673191) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide
PubChem CID106673191
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide
SMILESNC(=O)c1cccc(N2CC(O)C(O)C2)c1N
InChIInChI=1S/C11H15N3O3/c12-10-6(11(13)17)2-1-3-7(10)14-4-8(15)9(16)5-14/h1-3,8-9,15-16H,4-5,12H2,(H2,13,17)
InChIKeySETXPJOHSWXKDI-UHFFFAOYSA-N
XLogP-1.09
TPSA112.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide
CID 103537154
2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide
CID 115546054
2-amino-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]benzamide
CID 115546282
2-chloro-3-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]benzoic acid
CID 163206835
2-amino-3-(2-methylazepan-1-yl)benzamide
CID 113333036
2-amino-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 115545034
3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102964134
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide
CID 68507649
2-amino-3-(5-ethyl-2-methylmorpholin-4-yl)benzamide
CID 115545096
1-(3-amino-2-methylphenyl)pyrrolidine-3,4-diol
CID 106667572
2-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]benzamide
CID 176898478
ethyl 2-amino-3-(2,6-dimethylthiomorpholin-4-yl)benzoate
CID 115546254

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide?
The IUPAC name of 2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide (CID 106673191) is 2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide.
What is the SMILES notation for 2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide?
The canonical SMILES for 2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide is NC(=O)c1cccc(N2CC(O)C(O)C2)c1N.
What is the InChIKey of 2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide?
The InChIKey is SETXPJOHSWXKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-10-6(11(13)17)2-1-3-7(10)14-4-8(15)9(16)5-14/h1-3,8-9,15-16H,4-5,12H2,(H2,13,17).
What are the key properties of 2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide?
2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide has a molecular weight of 237.26 g/mol, XLogP of -1.09, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dihydroxypyrrolidin-1-yl)benzamide is sourced from PubChem (CID 106673191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).