2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid

C14H20N2O4 — CID 107423647

IUPAC2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)c1ccc(CO)cc1
InChIInChI=1S/C14H20N2O4/c1-15(2)7-8-16(9-13(18)19)14(20)12-5-3-11(10-17)4-6-12/h3-6,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyFBCPUOUGAPJQAN-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.27
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid (PubChem CID 107423647) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid
PubChem CID107423647
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)c1ccc(CO)cc1
InChIInChI=1S/C14H20N2O4/c1-15(2)7-8-16(9-13(18)19)14(20)12-5-3-11(10-17)4-6-12/h3-6,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyFBCPUOUGAPJQAN-UHFFFAOYSA-N
XLogP0.27
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-(pyrimidine-5-carbonyl)amino]acetic acid
CID 107423918
2-[1,3-benzodioxole-5-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802773
2-[2-(dimethylamino)ethyl-(5-methylfuran-3-carbonyl)amino]acetic acid
CID 107424105
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
2-[[4-(methylsulfonylmethyl)benzoyl]-propylamino]acetic acid
CID 61012373
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid
CID 61013289
2-[2-(dimethylamino)ethyl-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]acetic acid
CID 103802838
2-[[4-(dibenzylcarbamoyl)phenyl]methyl-methylamino]acetic acid
CID 59826363
2-[(4-tert-butylbenzoyl)-propylamino]acetic acid
CID 61011522
2-[[4-(acetamidomethyl)benzoyl]-(2-phenylethyl)amino]acetic acid
CID 119347576
2-[2-(dimethylamino)ethyl-(2-methylsulfanylbenzoyl)amino]acetic acid
CID 107424030

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid (CID 107423647) is 2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)c1ccc(CO)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid?
The InChIKey is FBCPUOUGAPJQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-15(2)7-8-16(9-13(18)19)14(20)12-5-3-11(10-17)4-6-12/h3-6,17H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[4-(hydroxymethyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 107423647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).