2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid

C14H20N2O3 — CID 105345673

IUPAC2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
SMILESCN(CC(=O)N(C)C)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-15(2)13(17)10-16(3)9-12-6-4-11(5-7-12)8-14(18)19/h4-7H,8-10H2,1-3H3,(H,18,19)
InChIKeyXYPICIBDGWKDEK-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.83
Rot. Bonds6

About 2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid

2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid (PubChem CID 105345673) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
PubChem CID105345673
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
SMILESCN(CC(=O)N(C)C)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-15(2)13(17)10-16(3)9-12-6-4-11(5-7-12)8-14(18)19/h4-7H,8-10H2,1-3H3,(H,18,19)
InChIKeyXYPICIBDGWKDEK-UHFFFAOYSA-N
XLogP0.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345821
2-[(4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 82972700
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
CID 105345888
2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]acetic acid
CID 105345659
methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 43216141
2-[4-[[2-cyanoethyl(methyl)amino]methyl]phenyl]acetic acid
CID 105345625
2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid
CID 65056465
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852
2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43376088
2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 105345750
2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79672932
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid (CID 105345673) is 2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid is CN(CC(=O)N(C)C)Cc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid?
The InChIKey is XYPICIBDGWKDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15(2)13(17)10-16(3)9-12-6-4-11(5-7-12)8-14(18)19/h4-7H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid?
2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 105345673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).