2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid

C17H20N2O4S — CID 129343303

IUPAC2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C[C@@H]1CN(C(=O)c2cc3ccccc3s2)CCO1
InChIInChI=1S/C17H20N2O4S/c1-18(11-16(20)21)9-13-10-19(6-7-23-13)17(22)15-8-12-4-2-3-5-14(12)24-15/h2-5,8,13H,6-7,9-11H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyWKGSHCNBBXLBMN-CYBMUJFWSA-N
MW348.42 g/mol
LogP1.76
Rot. Bonds5

About 2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid

2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 129343303) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID129343303
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C[C@@H]1CN(C(=O)c2cc3ccccc3s2)CCO1
InChIInChI=1S/C17H20N2O4S/c1-18(11-16(20)21)9-13-10-19(6-7-23-13)17(22)15-8-12-4-2-3-5-14(12)24-15/h2-5,8,13H,6-7,9-11H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyWKGSHCNBBXLBMN-CYBMUJFWSA-N
XLogP1.76
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid with MolForge

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Related Compounds

2-[[4-(5-chlorothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128972799
2-[methyl-[[4-[(3-methyl-3-phenylcyclobutyl)carbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122013142
2-[[(2S)-4-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129476856
2-[[(2R)-4-(5,6-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129476430
2-[methyl-[[4-[[(1R,2S)-1-methyl-2-phenylcyclopropyl]methylcarbamoyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122015392
1-benzothiophen-2-yl-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124940586
2-[methyl-[[(2R)-4-(5-methylthiophene-2-carbonyl)morpholin-2-yl]methyl]amino]acetamide
CID 129478517
2-[[4-[2-(2-fluorophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128966246
2-[[4-[2-(2-bromophenyl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 128973419
2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122007892
2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607008
2-[[4-(2,4-dichloro-5-fluorobenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 128992651

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid (CID 129343303) is 2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)C[C@@H]1CN(C(=O)c2cc3ccccc3s2)CCO1.
What is the InChIKey of 2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is WKGSHCNBBXLBMN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-18(11-16(20)21)9-13-10-19(6-7-23-13)17(22)15-8-12-4-2-3-5-14(12)24-15/h2-5,8,13H,6-7,9-11H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 348.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4-(1-benzothiophene-2-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 129343303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).