(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid

C12H15NO3 — CID 83194430

IUPAC(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
SMILESC[C@@H](NCC1COc2ccccc21)C(=O)O
InChIInChI=1S/C12H15NO3/c1-8(12(14)15)13-6-9-7-16-11-5-3-2-4-10(9)11/h2-5,8-9,13H,6-7H2,1H3,(H,14,15)/t8-,9?/m1/s1
InChIKeyGINLPVAFOBLAPM-VEDVMXKPSA-N
MW221.26 g/mol
LogP1.23
Rot. Bonds4

About (2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid

(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid (PubChem CID 83194430) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
PubChem CID83194430
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
SMILESC[C@@H](NCC1COc2ccccc21)C(=O)O
InChIInChI=1S/C12H15NO3/c1-8(12(14)15)13-6-9-7-16-11-5-3-2-4-10(9)11/h2-5,8-9,13H,6-7H2,1H3,(H,14,15)/t8-,9?/m1/s1
InChIKeyGINLPVAFOBLAPM-VEDVMXKPSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate
CID 79226267
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
(2S)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propanoic acid
CID 83194092
4-(2,3-dihydro-1-benzofuran-3-yl)-2-methylbutanoic acid
CID 81008371
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-iodo-3-methylbutan-2-amine
CID 107859372
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonyl)propanoic acid
CID 79229941
(1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81383137
ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate
CID 115628852
2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid
CID 79218626

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid?
The IUPAC name of (2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid (CID 83194430) is (2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid?
The canonical SMILES for (2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid is C[C@@H](NCC1COc2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid?
The InChIKey is GINLPVAFOBLAPM-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(12(14)15)13-6-9-7-16-11-5-3-2-4-10(9)11/h2-5,8-9,13H,6-7H2,1H3,(H,14,15)/t8-,9?/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid?
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid is sourced from PubChem (CID 83194430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).