(2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid

C16H17NO6 — CID 125151943

IUPAC(2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid
SMILESCOc1ccc2oc(C)c(C(=O)N3CCO[C@@H](C(=O)O)C3)c2c1
InChIInChI=1S/C16H17NO6/c1-9-14(11-7-10(21-2)3-4-12(11)23-9)15(18)17-5-6-22-13(8-17)16(19)20/h3-4,7,13H,5-6,8H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyMECITYXCRVFUFF-CYBMUJFWSA-N
MW319.31 g/mol
LogP1.68
Rot. Bonds3

About (2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid

(2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 125151943) has the molecular formula C16H17NO6 and a molecular weight of 319.31 g/mol. Its IUPAC name is (2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID125151943
Molecular FormulaC16H17NO6
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name(2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid
SMILESCOc1ccc2oc(C)c(C(=O)N3CCO[C@@H](C(=O)O)C3)c2c1
InChIInChI=1S/C16H17NO6/c1-9-14(11-7-10(21-2)3-4-12(11)23-9)15(18)17-5-6-22-13(8-17)16(19)20/h3-4,7,13H,5-6,8H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyMECITYXCRVFUFF-CYBMUJFWSA-N
XLogP1.68
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)morpholine-2-carboxylic acid
CID 119239356
[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methoxy-2-methyl-1-benzofuran-3-yl)methanone
CID 94487519
(5-methoxy-2-methyl-1-benzofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 589845
1-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-1,4-diazepan-5-one
CID 56821206
4-(4,6-dimethoxypyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 119358036
(2S)-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]propanamide
CID 95346522
(2S)-4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120584
(2S)-4-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 129415258
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
N-cyclopropyl-2-[4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55790290
4-[(4-methoxyphenyl)-methylcarbamoyl]morpholine-2-carboxylic acid
CID 62003252
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid (CID 125151943) is (2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid is COc1ccc2oc(C)c(C(=O)N3CCO[C@@H](C(=O)O)C3)c2c1.
What is the InChIKey of (2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is MECITYXCRVFUFF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO6/c1-9-14(11-7-10(21-2)3-4-12(11)23-9)15(18)17-5-6-22-13(8-17)16(19)20/h3-4,7,13H,5-6,8H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid?
(2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 319.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 125151943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).