2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid

C15H21NO2 — CID 115249897

IUPAC2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid
SMILESCCC(CNCc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C15H21NO2/c1-2-12(15(17)18)10-16-9-11-6-7-13-4-3-5-14(13)8-11/h6-8,12,16H,2-5,9-10H2,1H3,(H,17,18)
InChIKeyIXXQVGSUGNFELZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.38
Rot. Bonds6

About 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid

2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid (PubChem CID 115249897) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid
PubChem CID115249897
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid
SMILESCCC(CNCc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C15H21NO2/c1-2-12(15(17)18)10-16-9-11-6-7-13-4-3-5-14(13)8-11/h6-8,12,16H,2-5,9-10H2,1H3,(H,17,18)
InChIKeyIXXQVGSUGNFELZ-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butan-1-ol
CID 115250760
2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]butanoic acid
CID 115249892
2-[[(4-fluoro-3-methylphenyl)methylamino]methyl]butanoic acid
CID 115249888
2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid
CID 65219085
(2R)-2-(2,3-dihydro-1H-inden-5-ylmethylamino)propanoic acid
CID 83195277
2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]butanoic acid
CID 115249939
2-[(isoquinolin-7-ylmethylamino)methyl]butanoic acid
CID 166265909
2-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]methyl]butanoic acid
CID 65217775
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
2-methyl-3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-ylmethylamino)propanoic acid
CID 115164248
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246507
2-(2,3-dihydro-1H-inden-5-ylmethylamino)butanedioic acid
CID 115144370

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid?
The IUPAC name of 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid (CID 115249897) is 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid is CCC(CNCc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid?
The InChIKey is IXXQVGSUGNFELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-12(15(17)18)10-16-9-11-6-7-13-4-3-5-14(13)8-11/h6-8,12,16H,2-5,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid?
2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]butanoic acid is sourced from PubChem (CID 115249897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).