2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid

C14H20N2O3 — CID 104824812

IUPAC2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid
SMILESCC1(O)CCN(Cc2cccc(N)c2C(=O)O)CC1
InChIInChI=1S/C14H20N2O3/c1-14(19)5-7-16(8-6-14)9-10-3-2-4-11(15)12(10)13(17)18/h2-4,19H,5-9,15H2,1H3,(H,17,18)
InChIKeyBYKDVACCUPADJP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.31
Rot. Bonds3

About 2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid

2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid (PubChem CID 104824812) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid
PubChem CID104824812
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid
SMILESCC1(O)CCN(Cc2cccc(N)c2C(=O)O)CC1
InChIInChI=1S/C14H20N2O3/c1-14(19)5-7-16(8-6-14)9-10-3-2-4-11(15)12(10)13(17)18/h2-4,19H,5-9,15H2,1H3,(H,17,18)
InChIKeyBYKDVACCUPADJP-UHFFFAOYSA-N
XLogP1.31
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.31
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

2-amino-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]benzoic acid
CID 104824487
2-amino-6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]benzoic acid
CID 103531128
2-amino-6-[(3-oxopiperazin-1-yl)methyl]benzoic acid
CID 104824232
2-amino-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 104824671
2-amino-6-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 104824862
2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide
CID 107408094
2-amino-6-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]benzoic acid
CID 104824818
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-6-aminobenzoic acid
CID 104824795
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
2-amino-6-[(3-ethoxypiperidin-1-yl)methyl]benzoic acid
CID 104824515
2-amino-6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]benzoic acid
CID 104824853
2-amino-6-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 104824237

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid?
The IUPAC name of 2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid (CID 104824812) is 2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid.
What is the SMILES notation for 2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid?
The canonical SMILES for 2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid is CC1(O)CCN(Cc2cccc(N)c2C(=O)O)CC1.
What is the InChIKey of 2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid?
The InChIKey is BYKDVACCUPADJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(19)5-7-16(8-6-14)9-10-3-2-4-11(15)12(10)13(17)18/h2-4,19H,5-9,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid?
2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 104824812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).