2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid

C17H24N2O3 — CID 91831210

IUPAC2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)CC1Cc2ccccc2C1
InChIInChI=1S/C17H24N2O3/c1-18(2)7-8-19(12-17(21)22)16(20)11-13-9-14-5-3-4-6-15(14)10-13/h3-6,13H,7-12H2,1-2H3,(H,21,22)
InChIKeyCJVYLBSUOISQMG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.27
Rot. Bonds7

About 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid

2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid (PubChem CID 91831210) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
PubChem CID91831210
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)CC1Cc2ccccc2C1
InChIInChI=1S/C17H24N2O3/c1-18(2)7-8-19(12-17(21)22)16(20)11-13-9-14-5-3-4-6-15(14)10-13/h3-6,13H,7-12H2,1-2H3,(H,21,22)
InChIKeyCJVYLBSUOISQMG-UHFFFAOYSA-N
XLogP1.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid with MolForge

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Related Compounds

2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid
CID 124689456
2-[[2-(2,6-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802737
2-[2-(dimethylamino)ethyl-[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]acetic acid
CID 124685352
2-[2-(dimethylamino)ethyl-(2-pyridin-2-ylacetyl)amino]acetic acid
CID 107424052
2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
CID 107423497
2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid
CID 107423505
2-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 124677193
2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 119200234
2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347295
2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid
CID 103802756
2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802903
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 119346810

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid (CID 91831210) is 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)CC1Cc2ccccc2C1.
What is the InChIKey of 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
The InChIKey is CJVYLBSUOISQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-18(2)7-8-19(12-17(21)22)16(20)11-13-9-14-5-3-4-6-15(14)10-13/h3-6,13H,7-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid?
2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid has a molecular weight of 304.39 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-[2-(dimethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 91831210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).