3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid

C15H21NO3 — CID 79368771

IUPAC3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc2c(c1)C(N(C)CC(C)C(=O)O)CC2
InChIInChI=1S/C15H21NO3/c1-10(15(17)18)9-16(2)14-7-5-11-4-6-12(19-3)8-13(11)14/h4,6,8,10,14H,5,7,9H2,1-3H3,(H,17,18)
InChIKeyXOQGIUGAQIHVIZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds5

About 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid

3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid (PubChem CID 79368771) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid
PubChem CID79368771
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid
SMILESCOc1ccc2c(c1)C(N(C)CC(C)C(=O)O)CC2
InChIInChI=1S/C15H21NO3/c1-10(15(17)18)9-16(2)14-7-5-11-4-6-12(19-3)8-13(11)14/h4,6,8,10,14H,5,7,9H2,1-3H3,(H,17,18)
InChIKeyXOQGIUGAQIHVIZ-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid with MolForge

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Related Compounds

2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
CID 79367822
N'-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 79374274
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 79247936
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 79248400
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
3-[(4-chloro-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid
CID 122120318
(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 160877367
(2R,3S)-3-hydroxy-1-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-2-methylbutan-1-one
CID 102574394
(2R)-3-[[(3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 97324496
2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 81357749
3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid
CID 65061323
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide
CID 54317020

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid (CID 79368771) is 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid is COc1ccc2c(c1)C(N(C)CC(C)C(=O)O)CC2.
What is the InChIKey of 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid?
The InChIKey is XOQGIUGAQIHVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(15(17)18)9-16(2)14-7-5-11-4-6-12(19-3)8-13(11)14/h4,6,8,10,14H,5,7,9H2,1-3H3,(H,17,18).
What are the key properties of 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid?
3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 79368771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).