2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid

C19H24N2O5 — CID 129476430

IUPAC2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCc1cc2cc(C(=O)N3CCO[C@H](CN(C)CC(=O)O)C3)oc2cc1C
InChIInChI=1S/C19H24N2O5/c1-12-6-14-8-17(26-16(14)7-13(12)2)19(24)21-4-5-25-15(10-21)9-20(3)11-18(22)23/h6-8,15H,4-5,9-11H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyQNMNNBUJLZDZIC-OAHLLOKOSA-N
MW360.41 g/mol
LogP1.91
Rot. Bonds5

About 2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid

2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 129476430) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID129476430
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCc1cc2cc(C(=O)N3CCO[C@H](CN(C)CC(=O)O)C3)oc2cc1C
InChIInChI=1S/C19H24N2O5/c1-12-6-14-8-17(26-16(14)7-13(12)2)19(24)21-4-5-25-15(10-21)9-20(3)11-18(22)23/h6-8,15H,4-5,9-11H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyQNMNNBUJLZDZIC-OAHLLOKOSA-N
XLogP1.91
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

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Related Compounds

2-[methyl-[[4-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)morpholin-2-yl]methyl]amino]acetic acid
CID 128974742
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
2-[[4-(2,4-dichloro-5-fluorobenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128992651
2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129343303
2-[[4-[(3-ethyl-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122089090
2-[[4-(4-chloro-2-methoxybenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606962
2-[[4-(5-chlorothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128972799
(5,6-dimethyl-1-benzofuran-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612576
[2-(chloromethyl)morpholin-4-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 81210117
2-[[4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606955
2-[[4-[(2,3-dimethyl-1-benzofuran-5-yl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122090249
2-[4-(5-chloro-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119247536

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid (CID 129476430) is 2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid is Cc1cc2cc(C(=O)N3CCO[C@H](CN(C)CC(=O)O)C3)oc2cc1C.
What is the InChIKey of 2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is QNMNNBUJLZDZIC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12-6-14-8-17(26-16(14)7-13(12)2)19(24)21-4-5-25-15(10-21)9-20(3)11-18(22)23/h6-8,15H,4-5,9-11H2,1-3H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 360.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 129476430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).