4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid

C16H21NO3 — CID 43240409

IUPAC4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H21NO3/c1-17(9-3-6-16(19)20)15(18)11-12-7-8-13-4-2-5-14(13)10-12/h7-8,10H,2-6,9,11H2,1H3,(H,19,20)
InChIKeyFGXIWBMUYJBVGN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.04
Rot. Bonds6

About 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid

4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid (PubChem CID 43240409) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid
PubChem CID43240409
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H21NO3/c1-17(9-3-6-16(19)20)15(18)11-12-7-8-13-4-2-5-14(13)10-12/h7-8,10H,2-6,9,11H2,1H3,(H,19,20)
InChIKeyFGXIWBMUYJBVGN-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 60989072
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 112837369
2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid
CID 43239744
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 112822520
4-[[2-(4-hydroxyphenyl)acetyl]-methylamino]butanoic acid
CID 43329651
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190719
N-[2-(2-hydroxyphenyl)ethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 75454981
4-[[2-(3,5-dimethylphenyl)acetyl]-methylamino]butanoic acid
CID 110834563
3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 60989186
3-(2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 12646159
2-(2,3-dihydro-1H-inden-5-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112548127
3-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl-methylamino]propanoic acid
CID 119233149

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid (CID 43240409) is 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid?
The InChIKey is FGXIWBMUYJBVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17(9-3-6-16(19)20)15(18)11-12-7-8-13-4-2-5-14(13)10-12/h7-8,10H,2-6,9,11H2,1H3,(H,19,20).
What are the key properties of 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid?
4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid is sourced from PubChem (CID 43240409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).