2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid

C16H24N2O2 — CID 83982331

IUPAC2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
SMILESCc1ccc(CN2CCCCC2CC(N)C(=O)O)cc1
InChIInChI=1S/C16H24N2O2/c1-12-5-7-13(8-6-12)11-18-9-3-2-4-14(18)10-15(17)16(19)20/h5-8,14-15H,2-4,9-11,17H2,1H3,(H,19,20)
InChIKeyOLBHRBXOFLMBCG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.15
Rot. Bonds5

About 2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid

2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid (PubChem CID 83982331) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
PubChem CID83982331
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
SMILESCc1ccc(CN2CCCCC2CC(N)C(=O)O)cc1
InChIInChI=1S/C16H24N2O2/c1-12-5-7-13(8-6-12)11-18-9-3-2-4-14(18)10-15(17)16(19)20/h5-8,14-15H,2-4,9-11,17H2,1H3,(H,19,20)
InChIKeyOLBHRBXOFLMBCG-UHFFFAOYSA-N
XLogP2.15
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine
CID 83982346
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900
3-[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]-2-(methylamino)propanoic acid
CID 83982404
1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
CID 83982520
1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde
CID 62655332
2-amino-3-(1-methylpiperidin-2-yl)propanoic acid
CID 83668031
1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 83982354
3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
CID 83982303
3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine
CID 63762657
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
(2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 122124688
3-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 84758629

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid (CID 83982331) is 2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid is Cc1ccc(CN2CCCCC2CC(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid?
The InChIKey is OLBHRBXOFLMBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-7-13(8-6-12)11-18-9-3-2-4-14(18)10-15(17)16(19)20/h5-8,14-15H,2-4,9-11,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid?
2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid has a molecular weight of 276.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 83982331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).