2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid

C14H20N2O5 — CID 65067251

IUPAC2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H20N2O5/c1-20-7-6-16(9-14(18)19)8-11-2-4-12(5-3-11)21-10-13(15)17/h2-5H,6-10H2,1H3,(H2,15,17)(H,18,19)
InChIKeyRVQXUUXFRNKSAH-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.08
Rot. Bonds10

About 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid

2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 65067251) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid
PubChem CID65067251
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)Cc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H20N2O5/c1-20-7-6-16(9-14(18)19)8-11-2-4-12(5-3-11)21-10-13(15)17/h2-5H,6-10H2,1H3,(H2,15,17)(H,18,19)
InChIKeyRVQXUUXFRNKSAH-UHFFFAOYSA-N
XLogP0.08
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39379496
2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189503
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-butan-2-ylamino]acetic acid
CID 65057445
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide
CID 56815802
4-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-methylamino]butanoic acid
CID 65068126
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
2-[4-[[2-aminoethyl(methyl)amino]methyl]phenoxy]acetamide
CID 62682748
2-[(4-bromo-3-fluorophenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 81441647
2-[benzyl(4-methoxybutyl)amino]acetic acid
CID 119134936
3-[4-[[bis(2-methoxyethyl)amino]methyl]phenyl]propanoic acid
CID 84758632
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 65067154

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid (CID 65067251) is 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)Cc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is RVQXUUXFRNKSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-20-7-6-16(9-14(18)19)8-11-2-4-12(5-3-11)21-10-13(15)17/h2-5H,6-10H2,1H3,(H2,15,17)(H,18,19).
What are the key properties of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid?
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 296.32 g/mol, XLogP of 0.08, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 65067251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).