2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid

C14H20N2O4 — CID 103263896

IUPAC2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
SMILESCOCCNC(=O)CNCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-20-7-6-16-13(17)10-15-9-12-4-2-11(3-5-12)8-14(18)19/h2-5,15H,6-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyOVICSBCUKSLCGR-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.17
Rot. Bonds9

About 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid

2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid (PubChem CID 103263896) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
PubChem CID103263896
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
SMILESCOCCNC(=O)CNCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-20-7-6-16-13(17)10-15-9-12-4-2-11(3-5-12)8-14(18)19/h2-5,15H,6-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyOVICSBCUKSLCGR-UHFFFAOYSA-N
XLogP0.17
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide
CID 60691812
N-(2-methoxyethyl)-2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]acetamide
CID 115575340
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115875961
2-[4-[[[2-(2-methylpropylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263785
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112695615
2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112685455
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852
2-[(3-bromo-4-chlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112555040
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
methyl 2-fluoro-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]benzoate
CID 106700421
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid (CID 103263896) is 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid is COCCNC(=O)CNCc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid?
The InChIKey is OVICSBCUKSLCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-20-7-6-16-13(17)10-15-9-12-4-2-11(3-5-12)8-14(18)19/h2-5,15H,6-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid?
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 0.17, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 103263896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).