2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid

C15H21NO3 — CID 106488473

IUPAC2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid
SMILESCC(C)C(CN)(CC1Cc2ccccc2O1)C(=O)O
InChIInChI=1S/C15H21NO3/c1-10(2)15(9-16,14(17)18)8-12-7-11-5-3-4-6-13(11)19-12/h3-6,10,12H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyQUUTYDAAZFTQFP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.07
Rot. Bonds5

About 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid

2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid (PubChem CID 106488473) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid
PubChem CID106488473
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid
SMILESCC(C)C(CN)(CC1Cc2ccccc2O1)C(=O)O
InChIInChI=1S/C15H21NO3/c1-10(2)15(9-16,14(17)18)8-12-7-11-5-3-4-6-13(11)19-12/h3-6,10,12H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyQUUTYDAAZFTQFP-UHFFFAOYSA-N
XLogP2.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylbutanoic acid
CID 106488533
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol
CID 106506404
ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate
CID 132821328
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
CID 66365997
(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid
CID 104875432
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanoic acid
CID 66365369
3-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)butanoic acid
CID 66348378
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79651888
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentanamide
CID 82012136
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 66364191
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butanamide
CID 115676291

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid (CID 106488473) is 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid is CC(C)C(CN)(CC1Cc2ccccc2O1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid?
The InChIKey is QUUTYDAAZFTQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)15(9-16,14(17)18)8-12-7-11-5-3-4-6-13(11)19-12/h3-6,10,12H,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid?
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid is sourced from PubChem (CID 106488473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).