(2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid

C13H17NO3 — CID 124930456

IUPAC(2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
SMILESC[C@@H]1Cc2cc(C[C@@](C)(N)C(=O)O)ccc2O1
InChIInChI=1S/C13H17NO3/c1-8-5-10-6-9(3-4-11(10)17-8)7-13(2,14)12(15)16/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,16)/t8-,13-/m1/s1
InChIKeyOPFHTDUDDNDVKF-AMIZOPFISA-N
MW235.28 g/mol
LogP1.35
Rot. Bonds3

About (2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid

(2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid (PubChem CID 124930456) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
PubChem CID124930456
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid
SMILESC[C@@H]1Cc2cc(C[C@@](C)(N)C(=O)O)ccc2O1
InChIInChI=1S/C13H17NO3/c1-8-5-10-6-9(3-4-11(10)17-8)7-13(2,14)12(15)16/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,16)/t8-,13-/m1/s1
InChIKeyOPFHTDUDDNDVKF-AMIZOPFISA-N
XLogP1.35
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid with MolForge

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Related Compounds

2-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-ol
CID 117203213
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
(2R)-5-(2,2-dimethylpropyl)-2-[2-methyl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl]oxy-2,3-dihydro-1-benzofuran
CID 163577350
(4-ethylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297054
(3R)-3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylamino]pentanoic acid
CID 166264602
[5-(2-amino-2-carboxypropyl)-2-hydroxyphenyl](211At)astatine-211
CID 155761208
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-phenylethanone
CID 3468963
1-[2-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropan-1-amine
CID 105471600
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)ethanone
CID 43297030
2-amino-3-(4-hydroxy-3-(123I)iodophenyl)-2-methylpropanoic acid
CID 131886176
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid?
The IUPAC name of (2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid (CID 124930456) is (2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid?
The canonical SMILES for (2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid is C[C@@H]1Cc2cc(C[C@@](C)(N)C(=O)O)ccc2O1.
What is the InChIKey of (2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid?
The InChIKey is OPFHTDUDDNDVKF-AMIZOPFISA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-5-10-6-9(3-4-11(10)17-8)7-13(2,14)12(15)16/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,16)/t8-,13-/m1/s1.
What are the key properties of (2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid?
(2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-methyl-3-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid is sourced from PubChem (CID 124930456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).