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

C14H18N2O4 — CID 66434366

IUPAC2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid
SMILESCc1c(NC(=O)CC2CNCCO2)cccc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-9-11(14(18)19)3-2-4-12(9)16-13(17)7-10-8-15-5-6-20-10/h2-4,10,15H,5-8H2,1H3,(H,16,17)(H,18,19)
InChIKeySZKGTBITBOLABV-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.01
Rot. Bonds4

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

2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid (PubChem CID 66434366) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid
PubChem CID66434366
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid
SMILESCc1c(NC(=O)CC2CNCCO2)cccc1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-9-11(14(18)19)3-2-4-12(9)16-13(17)7-10-8-15-5-6-20-10/h2-4,10,15H,5-8H2,1H3,(H,16,17)(H,18,19)
InChIKeySZKGTBITBOLABV-UHFFFAOYSA-N
XLogP1.01
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119671783
methyl 2-[(2-morpholin-2-ylacetyl)amino]benzoate
CID 66433003
N-(2,6-dimethylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119676388
N-(2-methylpropyl)-2-[(2-morpholin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119684646
N-[2-(dimethylamino)phenyl]-2-morpholin-2-ylacetamide;dihydrochloride
CID 119843667
N-(2-benzylphenyl)-2-morpholin-2-ylacetamide
CID 119675738
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
N-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylacetamide
CID 66432981
N-[2-(3-methylphenoxy)phenyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 97318590
N-[2-(difluoromethylsulfanyl)phenyl]-2-morpholin-2-ylacetamide
CID 66433758
4-methoxy-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid
CID 66429390
N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119679107

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid?
The IUPAC name of 2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid (CID 66434366) is 2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid is Cc1c(NC(=O)CC2CNCCO2)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid?
The InChIKey is SZKGTBITBOLABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-11(14(18)19)3-2-4-12(9)16-13(17)7-10-8-15-5-6-20-10/h2-4,10,15H,5-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid?
2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-morpholin-2-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 66434366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).