(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid

C14H17NO5 — CID 124513663

IUPAC(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
SMILESCOCc1cccc(C(=O)N2CCOC[C@@H]2C(=O)O)c1
InChIInChI=1S/C14H17NO5/c1-19-8-10-3-2-4-11(7-10)13(16)15-5-6-20-9-12(15)14(17)18/h2-4,7,12H,5-6,8-9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeySUOZCVJGPHOBQB-GFCCVEGCSA-N
MW279.29 g/mol
LogP0.76
Rot. Bonds4

About (3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid

(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid (PubChem CID 124513663) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
PubChem CID124513663
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
SMILESCOCc1cccc(C(=O)N2CCOC[C@@H]2C(=O)O)c1
InChIInChI=1S/C14H17NO5/c1-19-8-10-3-2-4-11(7-10)13(16)15-5-6-20-9-12(15)14(17)18/h2-4,7,12H,5-6,8-9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeySUOZCVJGPHOBQB-GFCCVEGCSA-N
XLogP0.76
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 129486765
4-[3-(diethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216140
4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid
CID 119215842
[3-(methoxymethyl)phenyl]-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]methanone
CID 124956604
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125133126
[1-[3-(methoxymethyl)benzoyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 51098117
4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
CID 83098794
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 120521755
4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216541

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid (CID 124513663) is (3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid is COCc1cccc(C(=O)N2CCOC[C@@H]2C(=O)O)c1.
What is the InChIKey of (3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid?
The InChIKey is SUOZCVJGPHOBQB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-8-10-3-2-4-11(7-10)13(16)15-5-6-20-9-12(15)14(17)18/h2-4,7,12H,5-6,8-9H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid?
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 124513663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).