2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid

C15H21NO2 — CID 117042005

IUPAC2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)CCc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO2/c1-11(15(17)18)16(2)9-8-12-6-7-13-4-3-5-14(13)10-12/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyMOPSZRPAKIRIRL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.12
Rot. Bonds5

About 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid

2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid (PubChem CID 117042005) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid
PubChem CID117042005
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)CCc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO2/c1-11(15(17)18)16(2)9-8-12-6-7-13-4-3-5-14(13)10-12/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKeyMOPSZRPAKIRIRL-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanamine
CID 117043734
3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide
CID 115154399
2-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl-methylamino]propanoic acid
CID 122036768
[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol
CID 115229439
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042024
2-[2-(4-butan-2-ylphenyl)ethyl-methylamino]propanoic acid
CID 117042008
methyl 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]-2-oxoacetate
CID 115142607
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine
CID 115226180
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
(2R)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)propanoic acid
CID 83195277
(2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid
CID 104876281

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid (CID 117042005) is 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid is CC(C(=O)O)N(C)CCc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid?
The InChIKey is MOPSZRPAKIRIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(15(17)18)16(2)9-8-12-6-7-13-4-3-5-14(13)10-12/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid?
2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid is sourced from PubChem (CID 117042005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).