(2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride

C14H21ClN2O3 — CID 120873345

About (2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride

(2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride (PubChem CID 120873345) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is (2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride.

Molecular Properties

• Compound Name: (2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride
• PubChem CID: 120873345
• Molecular Formula: C14H21ClN2O3
• Molecular Weight: 300.79 g/mol
• Exact Mass: 300.12
• IUPAC Name: (2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride
• SMILES: COc1cc2c(cc1CNC(=O)[C@@H](C)N)OC(C)C2.Cl
• InChI: InChI=1S/C14H20N2O3.ClH/c1-8-4-10-5-12(18-3)11(6-13(10)19-8)7-16-14(17)9(2)15;/h5-6,8-9H,4,7,15H2,1-3H3,(H,16,17);1H/t8?,9-;/m1./s1
• InChIKey: KSUIGBAKXLSCHQ-ICLMXVQUSA-N
• XLogP: 1.40
• TPSA: 73.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	300.79
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride?

The IUPAC name of (2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride (CID 120873345) is (2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride.

What is the SMILES notation for (2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride?

The canonical SMILES for (2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride is COc1cc2c(cc1CNC(=O)[C@@H](C)N)OC(C)C2.Cl.

What is the InChIKey of (2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride?

The InChIKey is KSUIGBAKXLSCHQ-ICLMXVQUSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-8-4-10-5-12(18-3)11(6-13(10)19-8)7-16-14(17)9(2)15;/h5-6,8-9H,4,7,15H2,1-3H3,(H,16,17);1H/t8?,9-;/m1./s1.

What are the key properties of (2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride?

(2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 120873345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).