5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide

C12H17N3O2 — CID 103357701

IUPAC5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide
SMILESCC1(O)CCN(c2ccc(N)cc2C(N)=O)C1
InChIInChI=1S/C12H17N3O2/c1-12(17)4-5-15(7-12)10-3-2-8(13)6-9(10)11(14)16/h2-3,6,17H,4-5,7,13H2,1H3,(H2,14,16)
InChIKeyQDZLMXDTYFLDSV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.33
Rot. Bonds2

About 5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide

5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide (PubChem CID 103357701) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide
PubChem CID103357701
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide
SMILESCC1(O)CCN(c2ccc(N)cc2C(N)=O)C1
InChIInChI=1S/C12H17N3O2/c1-12(17)4-5-15(7-12)10-3-2-8(13)6-9(10)11(14)16/h2-3,6,17H,4-5,7,13H2,1H3,(H2,14,16)
InChIKeyQDZLMXDTYFLDSV-UHFFFAOYSA-N
XLogP0.33
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-(3-carbamoyl-3-methylpyrrolidin-1-yl)benzoic acid
CID 114082441
4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 103355246
5-amino-2-(7,7-dimethyl-1,4-thiazepan-4-yl)benzamide
CID 107458168
ethyl 5-amino-2-(4-hydroxy-4-methylazepan-1-yl)benzoate
CID 107407268
methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)benzoate
CID 62932235
5-amino-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
CID 102745193
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylbenzoic acid
CID 103356422
4-amino-3-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 103355273
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355036
1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147406
5-amino-2-(3-oxo-1,4-diazepan-1-yl)benzamide
CID 65363963
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide?
The IUPAC name of 5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide (CID 103357701) is 5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide.
What is the SMILES notation for 5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide?
The canonical SMILES for 5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide is CC1(O)CCN(c2ccc(N)cc2C(N)=O)C1.
What is the InChIKey of 5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide?
The InChIKey is QDZLMXDTYFLDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(17)4-5-15(7-12)10-3-2-8(13)6-9(10)11(14)16/h2-3,6,17H,4-5,7,13H2,1H3,(H2,14,16).
What are the key properties of 5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide?
5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide is sourced from PubChem (CID 103357701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).