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

C14H18N2O6 — CID 119189503

IUPAC2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H18N2O6/c1-21-7-6-16(8-13(18)19)14(20)10-2-4-11(5-3-10)22-9-12(15)17/h2-5H,6-9H2,1H3,(H2,15,17)(H,18,19)
InChIKeyZPHWLSJMFPVQSE-UHFFFAOYSA-N
MW310.31 g/mol
LogP-0.28
Rot. Bonds9

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

2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189503) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID119189503
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H18N2O6/c1-21-7-6-16(8-13(18)19)14(20)10-2-4-11(5-3-10)22-9-12(15)17/h2-5H,6-9H2,1H3,(H2,15,17)(H,18,19)
InChIKeyZPHWLSJMFPVQSE-UHFFFAOYSA-N
XLogP-0.28
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
4-(2-amino-2-oxoethoxy)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 50983664
2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
CID 119206355
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid
CID 65067251
4-(2-amino-2-oxoethoxy)-N-methoxy-N-methylbenzamide
CID 47119792
2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 81283722
2-[[4-(1,3-dithiolan-2-yl)benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189107
2-[2-methoxyethyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetic acid
CID 119348186
4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119348134

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid (CID 119189503) is 2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is ZPHWLSJMFPVQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6/c1-21-7-6-16(8-13(18)19)14(20)10-2-4-11(5-3-10)22-9-12(15)17/h2-5H,6-9H2,1H3,(H2,15,17)(H,18,19).
What are the key properties of 2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid?
2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 310.31 g/mol, XLogP of -0.28, 9 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)benzoyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).