2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid

C19H28N2O2 — CID 122042893

IUPAC2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid
SMILESCc1ccc2c(c1)C(N1CCC(N(C)CC(=O)O)CC1)C(C)C2
InChIInChI=1S/C19H28N2O2/c1-13-4-5-15-11-14(2)19(17(15)10-13)21-8-6-16(7-9-21)20(3)12-18(22)23/h4-5,10,14,16,19H,6-9,11-12H2,1-3H3,(H,22,23)
InChIKeyKAJAFSWHDKMZSJ-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.71
Rot. Bonds4

About 2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid

2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid (PubChem CID 122042893) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid
PubChem CID122042893
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid
SMILESCc1ccc2c(c1)C(N1CCC(N(C)CC(=O)O)CC1)C(C)C2
InChIInChI=1S/C19H28N2O2/c1-13-4-5-15-11-14(2)19(17(15)10-13)21-8-6-16(7-9-21)20(3)12-18(22)23/h4-5,10,14,16,19H,6-9,11-12H2,1-3H3,(H,22,23)
InChIKeyKAJAFSWHDKMZSJ-UHFFFAOYSA-N
XLogP2.71
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid (CID 122042893) is 2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid is Cc1ccc2c(c1)C(N1CCC(N(C)CC(=O)O)CC1)C(C)C2.
What is the InChIKey of 2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid?
The InChIKey is KAJAFSWHDKMZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13-4-5-15-11-14(2)19(17(15)10-13)21-8-6-16(7-9-21)20(3)12-18(22)23/h4-5,10,14,16,19H,6-9,11-12H2,1-3H3,(H,22,23).
What are the key properties of 2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid?
2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid has a molecular weight of 316.45 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]-methylamino]acetic acid is sourced from PubChem (CID 122042893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).