4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid

C17H19NO5 — CID 119239343

IUPAC4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
SMILESCc1ccc(C)c2c(C)c(C(=O)N3CCOC(C(=O)O)C3)oc12
InChIInChI=1S/C17H19NO5/c1-9-4-5-10(2)14-13(9)11(3)15(23-14)16(19)18-6-7-22-12(8-18)17(20)21/h4-5,12H,6-8H2,1-3H3,(H,20,21)
InChIKeyMUDFSYIRFNTJTB-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.28
Rot. Bonds2

About 4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid

4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid (PubChem CID 119239343) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
PubChem CID119239343
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
SMILESCc1ccc(C)c2c(C)c(C(=O)N3CCOC(C(=O)O)C3)oc12
InChIInChI=1S/C17H19NO5/c1-9-4-5-10(2)14-13(9)11(3)15(23-14)16(19)18-6-7-22-12(8-18)17(20)21/h4-5,12H,6-8H2,1-3H3,(H,20,21)
InChIKeyMUDFSYIRFNTJTB-UHFFFAOYSA-N
XLogP2.28
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.28
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
morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 166191080
(3S)-1-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)pyrrolidine-3-carboxamide
CID 94649811
4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119357933
(2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 124685287
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
(2S)-4-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 129415258
4-(3-iodo-4-methylbenzoyl)morpholine-2-carboxylic acid
CID 119239111
(2S)-4-(3-bromofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 124610786
(4-methylsulfonylpiperazin-1-yl)-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 47071501
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
CID 113265061
2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697653

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid (CID 119239343) is 4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid is Cc1ccc(C)c2c(C)c(C(=O)N3CCOC(C(=O)O)C3)oc12.
What is the InChIKey of 4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is MUDFSYIRFNTJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-9-4-5-10(2)14-13(9)11(3)15(23-14)16(19)18-6-7-22-12(8-18)17(20)21/h4-5,12H,6-8H2,1-3H3,(H,20,21).
What are the key properties of 4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid?
4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 317.34 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).