4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid

C12H16N2O3 — CID 82785315

IUPAC4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid
SMILESNc1ccc(C(=O)O)cc1N1CCCC(O)C1
InChIInChI=1S/C12H16N2O3/c13-10-4-3-8(12(16)17)6-11(10)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7,13H2,(H,16,17)
InChIKeyQNZFUCDXWBHUCM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.93
Rot. Bonds2

About 4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid

4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid (PubChem CID 82785315) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid
PubChem CID82785315
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid
SMILESNc1ccc(C(=O)O)cc1N1CCCC(O)C1
InChIInChI=1S/C12H16N2O3/c13-10-4-3-8(12(16)17)6-11(10)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7,13H2,(H,16,17)
InChIKeyQNZFUCDXWBHUCM-UHFFFAOYSA-N
XLogP0.93
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-(3-hydroxypiperidin-1-yl)benzamide
CID 55189651
1-(2-amino-5-bromophenyl)piperidin-3-ol
CID 65343065
4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
CID 94373368
4-amino-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)benzoic acid
CID 82796630
3-amino-4-(3-carbamoylpiperidin-1-yl)benzoic acid
CID 54888911
2-[3-amino-4-(3-hydroxypiperidin-1-yl)phenyl]propanoic acid
CID 154132194
3-amino-4-(3-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 81470671
1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-aminobenzoic acid
CID 82796122
4-amino-3-pyrrolidin-1-ylbenzamide
CID 63355693
4-(3-aminopiperidin-1-yl)-3-methylbenzoic acid
CID 63212722
1-(4-amino-3-pyrrolidin-1-ylphenyl)ethanone
CID 165012746

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid?
The IUPAC name of 4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid (CID 82785315) is 4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid.
What is the SMILES notation for 4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid?
The canonical SMILES for 4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid is Nc1ccc(C(=O)O)cc1N1CCCC(O)C1.
What is the InChIKey of 4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid?
The InChIKey is QNZFUCDXWBHUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-10-4-3-8(12(16)17)6-11(10)14-5-1-2-9(15)7-14/h3-4,6,9,15H,1-2,5,7,13H2,(H,16,17).
What are the key properties of 4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid?
4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid has a molecular weight of 236.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-hydroxypiperidin-1-yl)benzoic acid is sourced from PubChem (CID 82785315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).