2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid

C17H19NO5 — CID 124697653

IUPAC2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)oc2c(C)cccc12
InChIInChI=1S/C17H19NO5/c1-10-4-3-5-13-11(2)16(23-15(10)13)17(21)18-6-7-22-12(9-18)8-14(19)20/h3-5,12H,6-9H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyFWVXLFQMKXYSGI-LBPRGKRZSA-N
MW317.34 g/mol
LogP2.37
Rot. Bonds3

About 2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid

2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 124697653) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
PubChem CID124697653
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)oc2c(C)cccc12
InChIInChI=1S/C17H19NO5/c1-10-4-3-5-13-11(2)16(23-15(10)13)17(21)18-6-7-22-12(9-18)8-14(19)20/h3-5,12H,6-9H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyFWVXLFQMKXYSGI-LBPRGKRZSA-N
XLogP2.37
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248212
(3,7-dimethyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327895
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
2-[(2S)-4-(3-methyl-1-benzothiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697788
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119357933
2-[4-(3,7-dimethyl-1-benzofuran-2-carbonyl)thiomorpholin-3-yl]acetic acid
CID 119211060
(3,7-dimethyl-1-benzofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563968
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
CID 120527700

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid (CID 124697653) is 2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid is Cc1c(C(=O)N2CCO[C@@H](CC(=O)O)C2)oc2c(C)cccc12.
What is the InChIKey of 2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is FWVXLFQMKXYSGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19NO5/c1-10-4-3-5-13-11(2)16(23-15(10)13)17(21)18-6-7-22-12(9-18)8-14(19)20/h3-5,12H,6-9H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid?
2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 317.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124697653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).