5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid

C15H21NO3 — CID 166125999

IUPAC5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid
SMILESCOc1ccc2c(c1)C(CCCCC(=O)O)C(N)C2
InChIInChI=1S/C15H21NO3/c1-19-11-7-6-10-8-14(16)12(13(10)9-11)4-2-3-5-15(17)18/h6-7,9,12,14H,2-5,8,16H2,1H3,(H,17,18)
InChIKeyBYIULFOCIXFZGZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.31
Rot. Bonds6

About 5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid

5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid (PubChem CID 166125999) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid
PubChem CID166125999
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid
SMILESCOc1ccc2c(c1)C(CCCCC(=O)O)C(N)C2
InChIInChI=1S/C15H21NO3/c1-19-11-7-6-10-8-14(16)12(13(10)9-11)4-2-3-5-15(17)18/h6-7,9,12,14H,2-5,8,16H2,1H3,(H,17,18)
InChIKeyBYIULFOCIXFZGZ-UHFFFAOYSA-N
XLogP2.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
CID 167179397
3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid
CID 166125596
methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 166125952
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]butanoic acid
CID 115511176
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 25270486
4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
CID 166125977
(7S)-4-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 7055849
methyl 3-[(1-amino-6-methoxy-2,3-dihydro-1H-inden-2-yl)sulfonyl]propanoate
CID 79369070
N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 44582585
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butanamide
CID 79366946
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid?
The IUPAC name of 5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid (CID 166125999) is 5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid.
What is the SMILES notation for 5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid?
The canonical SMILES for 5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid is COc1ccc2c(c1)C(CCCCC(=O)O)C(N)C2.
What is the InChIKey of 5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid?
The InChIKey is BYIULFOCIXFZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-11-7-6-10-8-14(16)12(13(10)9-11)4-2-3-5-15(17)18/h6-7,9,12,14H,2-5,8,16H2,1H3,(H,17,18).
What are the key properties of 5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid?
5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid is sourced from PubChem (CID 166125999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).