4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid

C15H21NO4 — CID 106793496

IUPAC4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
SMILESCCC1COCCN1Cc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C15H21NO4/c1-3-12-10-20-7-6-16(12)9-11-4-5-13(15(17)18)14(8-11)19-2/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,17,18)
InChIKeyOCRHRRDZAMGBPA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.00
Rot. Bonds5

About 4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid

4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid (PubChem CID 106793496) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
PubChem CID106793496
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
SMILESCCC1COCCN1Cc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C15H21NO4/c1-3-12-10-20-7-6-16(12)9-11-4-5-13(15(17)18)14(8-11)19-2/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,17,18)
InChIKeyOCRHRRDZAMGBPA-UHFFFAOYSA-N
XLogP2.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338703
5-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65344113
2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 114014611
5-[(3-ethylmorpholin-4-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295011
2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 106793710
[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine
CID 83096554
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 99930605
2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
CID 43613412
3-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]prop-2-enoic acid
CID 76909426
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-methoxybenzoic acid
CID 106793672
4-[(4-cyano-3-methoxyphenyl)methyl]morpholine-3-carboxylic acid
CID 106792559

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid?
The IUPAC name of 4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid (CID 106793496) is 4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid is CCC1COCCN1Cc1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid?
The InChIKey is OCRHRRDZAMGBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-12-10-20-7-6-16(12)9-11-4-5-13(15(17)18)14(8-11)19-2/h4-5,8,12H,3,6-7,9-10H2,1-2H3,(H,17,18).
What are the key properties of 4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid?
4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 106793496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).