3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid

C16H19NO5 — CID 126438922

IUPAC3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(C(=O)N2CCO[C@H](C3CC3)C2)c1
InChIInChI=1S/C16H19NO5/c1-21-13-7-11(6-12(8-13)16(19)20)15(18)17-4-5-22-14(9-17)10-2-3-10/h6-8,10,14H,2-5,9H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyJBXZFVKAPLHZEA-AWEZNQCLSA-N
MW305.33 g/mol
LogP1.64
Rot. Bonds4

About 3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid

3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid (PubChem CID 126438922) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid
PubChem CID126438922
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(C(=O)N2CCO[C@H](C3CC3)C2)c1
InChIInChI=1S/C16H19NO5/c1-21-13-7-11(6-12(8-13)16(19)20)15(18)17-4-5-22-14(9-17)10-2-3-10/h6-8,10,14H,2-5,9H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyJBXZFVKAPLHZEA-AWEZNQCLSA-N
XLogP1.64
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208576
4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile
CID 78945956
(3,5-dimethoxyphenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327180
3-methoxy-5-(piperidine-1-carbonyl)benzoic acid
CID 58738055
3-methoxy-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]benzoic acid
CID 126427180
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119482519
(3,5-dimethoxyphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413635
(3-aminopiperidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119377142
(3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 122135627

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid?
The IUPAC name of 3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid (CID 126438922) is 3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid.
What is the SMILES notation for 3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid?
The canonical SMILES for 3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid is COc1cc(C(=O)O)cc(C(=O)N2CCO[C@H](C3CC3)C2)c1.
What is the InChIKey of 3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid?
The InChIKey is JBXZFVKAPLHZEA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO5/c1-21-13-7-11(6-12(8-13)16(19)20)15(18)17-4-5-22-14(9-17)10-2-3-10/h6-8,10,14H,2-5,9H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid?
3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid has a molecular weight of 305.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid is sourced from PubChem (CID 126438922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).