2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid

C20H30N2O3 — CID 72842300

IUPAC2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)CC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C20H30N2O3/c1-25-10-9-21(15-20(23)24)13-16-5-4-8-22(14-16)19-11-17-6-2-3-7-18(17)12-19/h2-3,6-7,16,19H,4-5,8-15H2,1H3,(H,23,24)
InChIKeyVGWOSEGFMYHTGD-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.90
Rot. Bonds8

About 2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid

2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 72842300) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid
PubChem CID72842300
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)CC1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C20H30N2O3/c1-25-10-9-21(15-20(23)24)13-16-5-4-8-22(14-16)19-11-17-6-2-3-7-18(17)12-19/h2-3,6-7,16,19H,4-5,8-15H2,1H3,(H,23,24)
InChIKeyVGWOSEGFMYHTGD-UHFFFAOYSA-N
XLogP1.90
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid (CID 72842300) is 2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)CC1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of 2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is VGWOSEGFMYHTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-25-10-9-21(15-20(23)24)13-16-5-4-8-22(14-16)19-11-17-6-2-3-7-18(17)12-19/h2-3,6-7,16,19H,4-5,8-15H2,1H3,(H,23,24).
What are the key properties of 2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid?
2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 346.47 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 72842300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).