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

C14H19NO2 — CID 138535549

IUPAC2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid
SMILESCC1CCc2cccc(C(C)C(N)C(=O)O)c21
InChIInChI=1S/C14H19NO2/c1-8-6-7-10-4-3-5-11(12(8)10)9(2)13(15)14(16)17/h3-5,8-9,13H,6-7,15H2,1-2H3,(H,16,17)
InChIKeySSZACZAQGSQURA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.25
Rot. Bonds3

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

2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid (PubChem CID 138535549) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid
PubChem CID138535549
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid
SMILESCC1CCc2cccc(C(C)C(N)C(=O)O)c21
InChIInChI=1S/C14H19NO2/c1-8-6-7-10-4-3-5-11(12(8)10)9(2)13(15)14(16)17/h3-5,8-9,13H,6-7,15H2,1-2H3,(H,16,17)
InChIKeySSZACZAQGSQURA-UHFFFAOYSA-N
XLogP2.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid?
The IUPAC name of 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid (CID 138535549) is 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid.
What is the SMILES notation for 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid?
The canonical SMILES for 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid is CC1CCc2cccc(C(C)C(N)C(=O)O)c21.
What is the InChIKey of 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid?
The InChIKey is SSZACZAQGSQURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-8-6-7-10-4-3-5-11(12(8)10)9(2)13(15)14(16)17/h3-5,8-9,13H,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid?
2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)butanoic acid is sourced from PubChem (CID 138535549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).