2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid

C15H21NO2 — CID 65057984

IUPAC2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1Cc2ccccc2C1
InChIInChI=1S/C15H21NO2/c1-3-11(2)16(10-15(17)18)14-8-12-6-4-5-7-13(12)9-14/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyGKQVKZMWSFLXFK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.34
Rot. Bonds5

About 2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid

2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid (PubChem CID 65057984) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
PubChem CID65057984
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1Cc2ccccc2C1
InChIInChI=1S/C15H21NO2/c1-3-11(2)16(10-15(17)18)14-8-12-6-4-5-7-13(12)9-14/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyGKQVKZMWSFLXFK-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid (CID 65057984) is 2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid is CCC(C)N(CC(=O)O)C1Cc2ccccc2C1.
What is the InChIKey of 2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid?
The InChIKey is GKQVKZMWSFLXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-11(2)16(10-15(17)18)14-8-12-6-4-5-7-13(12)9-14/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid?
2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid has a molecular weight of 247.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid is sourced from PubChem (CID 65057984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).