4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid

C14H18N2O5 — CID 66429390

IUPAC4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)CC1CNCCO1
InChIInChI=1S/C14H18N2O5/c1-20-12-3-2-9(14(18)19)6-11(12)16-13(17)7-10-8-15-4-5-21-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyNKSMMZOKVUKOKY-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.71
Rot. Bonds5

About 4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid

4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid (PubChem CID 66429390) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid
PubChem CID66429390
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)CC1CNCCO1
InChIInChI=1S/C14H18N2O5/c1-20-12-3-2-9(14(18)19)6-11(12)16-13(17)7-10-8-15-4-5-21-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyNKSMMZOKVUKOKY-UHFFFAOYSA-N
XLogP0.71
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119679107
N-(4-chloro-7-methoxyquinolin-6-yl)-2-morpholin-2-ylacetamide
CID 163212668
N-(2,5-diethoxyphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119686964
methyl 4-[(2-morpholin-2-ylacetyl)amino]benzoate;hydrochloride
CID 119671383
methyl 4-fluoro-2-[(2-morpholin-2-ylacetyl)amino]benzoate
CID 66428476
2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid
CID 66434366
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-2-ylacetamide
CID 119675375
N-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylacetamide
CID 66432981
1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea
CID 74245608
4-methoxy-3-[(2-piperidin-3-ylacetyl)amino]benzamide
CID 62674715
N-(2-methoxy-5-piperidin-1-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613190
N-[4-(2-methoxyphenoxy)phenyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119697320

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid?
The IUPAC name of 4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid (CID 66429390) is 4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid is COc1ccc(C(=O)O)cc1NC(=O)CC1CNCCO1.
What is the InChIKey of 4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid?
The InChIKey is NKSMMZOKVUKOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-20-12-3-2-9(14(18)19)6-11(12)16-13(17)7-10-8-15-4-5-21-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid?
4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 66429390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).