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

C14H19NO2 — CID 54959527

IUPAC2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
SMILESCC(NC(C)c1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C14H19NO2/c1-9(15-10(2)14(16)17)12-7-6-11-4-3-5-13(11)8-12/h6-10,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyMANPACGUOQKETI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.30
Rot. Bonds4

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

2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid (PubChem CID 54959527) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
PubChem CID54959527
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
SMILESCC(NC(C)c1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C14H19NO2/c1-9(15-10(2)14(16)17)12-7-6-11-4-3-5-13(11)8-12/h6-10,15H,3-5H2,1-2H3,(H,16,17)
InChIKeyMANPACGUOQKETI-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 54959578
(2S)-N-carbamoyl-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8859207
(2R)-N-carbamoyl-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8859233
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol
CID 81339451
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol
CID 50973028
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 94487783
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 133185989
3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-1-ol
CID 81338020
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 20556031
(2R)-N-(4-acetylphenyl)-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanamide
CID 8858993

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid (CID 54959527) is 2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid is CC(NC(C)c1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid?
The InChIKey is MANPACGUOQKETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(15-10(2)14(16)17)12-7-6-11-4-3-5-13(11)8-12/h6-10,15H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid?
2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid is sourced from PubChem (CID 54959527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).