2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid

C14H20N2O2 — CID 117374139

IUPAC2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid
SMILESCN1CCC(c2cccc(C(N)C(=O)O)c2)CC1
InChIInChI=1S/C14H20N2O2/c1-16-7-5-10(6-8-16)11-3-2-4-12(9-11)13(15)14(17)18/h2-4,9-10,13H,5-8,15H2,1H3,(H,17,18)
InChIKeyCPKJBSYQUYLOCP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.58
Rot. Bonds3

About 2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid

2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid (PubChem CID 117374139) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid
PubChem CID117374139
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid
SMILESCN1CCC(c2cccc(C(N)C(=O)O)c2)CC1
InChIInChI=1S/C14H20N2O2/c1-16-7-5-10(6-8-16)11-3-2-4-12(9-11)13(15)14(17)18/h2-4,9-10,13H,5-8,15H2,1H3,(H,17,18)
InChIKeyCPKJBSYQUYLOCP-UHFFFAOYSA-N
XLogP1.58
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-methylpiperidin-4-yl)phenyl]-2-oxoacetic acid
CID 117370492
2-methyl-3-[3-(1-methylpiperidin-4-yl)phenyl]propanoic acid
CID 117408077
3-cyclopropyl-3-[3-(1-methylazepan-4-yl)phenyl]propanoic acid
CID 117485723
2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-amine
CID 116988906
3-methyl-2-[3-(1-methylpiperidin-4-yl)phenyl]butan-1-ol
CID 116988907
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
2-[3-(1-methylazepan-4-yl)phenyl]propan-1-amine
CID 117368932
1-methyl-4-phenylpiperidine;(2R)-2-phenyl-2-(3-phenylpyrrolidin-1-yl)acetic acid
CID 142020821
ethyl 3-(1-methylpiperidin-4-yl)benzoate
CID 116988913
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119290269
2-(azepan-1-yl)-2-(3-cyclopropylphenyl)acetic acid
CID 79980420
(2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid
CID 177277698

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid (CID 117374139) is 2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid is CN1CCC(c2cccc(C(N)C(=O)O)c2)CC1.
What is the InChIKey of 2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid?
The InChIKey is CPKJBSYQUYLOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-7-5-10(6-8-16)11-3-2-4-12(9-11)13(15)14(17)18/h2-4,9-10,13H,5-8,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid?
2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid has a molecular weight of 248.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid is sourced from PubChem (CID 117374139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).