4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid

C15H21NO3 — CID 167179397

IUPAC4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
SMILESCCOc1ccc2c(c1)CC(N)C2CCCC(=O)O
InChIInChI=1S/C15H21NO3/c1-2-19-11-6-7-12-10(8-11)9-14(16)13(12)4-3-5-15(17)18/h6-8,13-14H,2-5,9,16H2,1H3,(H,17,18)
InChIKeyLGNFNHYCAWOOTJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.31
Rot. Bonds6

About 4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid

4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid (PubChem CID 167179397) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
PubChem CID167179397
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
SMILESCCOc1ccc2c(c1)CC(N)C2CCCC(=O)O
InChIInChI=1S/C15H21NO3/c1-2-19-11-6-7-12-10(8-11)9-14(16)13(12)4-3-5-15(17)18/h6-8,13-14H,2-5,9,16H2,1H3,(H,17,18)
InChIKeyLGNFNHYCAWOOTJ-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

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Related Compounds

5-(2-amino-6-methoxy-2,3-dihydro-1H-inden-1-yl)pentanoic acid
CID 166125999
3-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid
CID 166125596
2-[2-amino-3-[2-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)acetyl]oxy-6-ethoxy-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 167179321
3-(2-amino-5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid
CID 167179396
4-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-1-yl)butanoic acid
CID 166125977
3-(2-amino-4-ethoxy-2,3-dihydro-1H-inden-1-yl)propanoic acid
CID 166125970
methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 166125952
(1R,2R)-2-amino-6-ethoxy-2,3-dihydro-1H-inden-1-ol
CID 12051572
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
5-ethoxy-2,3-dihydro-1H-inden-2-amine
CID 90944154
5-(4-ethoxy-2-methylphenyl)-5-oxopentanoic acid
CID 82264480
(5S)-5-amino-5-(2,4-diethoxyphenyl)pentanoic acid
CID 165348822

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid?
The IUPAC name of 4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid (CID 167179397) is 4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid?
The canonical SMILES for 4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid is CCOc1ccc2c(c1)CC(N)C2CCCC(=O)O.
What is the InChIKey of 4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid?
The InChIKey is LGNFNHYCAWOOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-11-6-7-12-10(8-11)9-14(16)13(12)4-3-5-15(17)18/h6-8,13-14H,2-5,9,16H2,1H3,(H,17,18).
What are the key properties of 4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid?
4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic 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 4-(2-amino-5-ethoxy-2,3-dihydro-1H-inden-1-yl)butanoic acid is sourced from PubChem (CID 167179397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).