2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid

C16H24N2O2 — CID 83982741

IUPAC2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid
SMILESCc1ccc(CN2CCCC(C(N)C(=O)O)C2)cc1C
InChIInChI=1S/C16H24N2O2/c1-11-5-6-13(8-12(11)2)9-18-7-3-4-14(10-18)15(17)16(19)20/h5-6,8,14-15H,3-4,7,9-10,17H2,1-2H3,(H,19,20)
InChIKeyHSIORXKPOIMFEW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds4

About 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid

2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid (PubChem CID 83982741) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid
PubChem CID83982741
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid
SMILESCc1ccc(CN2CCCC(C(N)C(=O)O)C2)cc1C
InChIInChI=1S/C16H24N2O2/c1-11-5-6-13(8-12(11)2)9-18-7-3-4-14(10-18)15(17)16(19)20/h5-6,8,14-15H,3-4,7,9-10,17H2,1-2H3,(H,19,20)
InChIKeyHSIORXKPOIMFEW-UHFFFAOYSA-N
XLogP1.93
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982652
2-amino-2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980821
1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate
CID 83982541
2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980971
2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982729
3-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]-2-methylpropan-1-amine
CID 83982751
(3S)-1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904719
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride
CID 45075015
2-[(3S)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]hexanoic acid;dihydrochloride
CID 142749248
3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119925700

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid (CID 83982741) is 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid is Cc1ccc(CN2CCCC(C(N)C(=O)O)C2)cc1C.
What is the InChIKey of 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid?
The InChIKey is HSIORXKPOIMFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-6-13(8-12(11)2)9-18-7-3-4-14(10-18)15(17)16(19)20/h5-6,8,14-15H,3-4,7,9-10,17H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid?
2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid has a molecular weight of 276.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 83982741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).