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

C14H19NO5 — CID 119206355

IUPAC2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C14H19NO5/c1-3-15(10-13(16)17)14(18)11-4-6-12(7-5-11)20-9-8-19-2/h4-7H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyYMKSHJYCCJODGS-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.26
Rot. Bonds8

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

2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid (PubChem CID 119206355) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
PubChem CID119206355
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C14H19NO5/c1-3-15(10-13(16)17)14(18)11-4-6-12(7-5-11)20-9-8-19-2/h4-7H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyYMKSHJYCCJODGS-UHFFFAOYSA-N
XLogP1.26
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
2-[[4-(2-amino-2-oxoethoxy)benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189503
2-[(4-propoxybenzoyl)-prop-2-ynylamino]acetic acid
CID 79279952
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17353510
N,N-diethyl-4-iodo-3-(2-methoxyethoxy)benzamide
CID 67216621
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[methyl-(4-propoxybenzoyl)amino]acetic acid
CID 43239761
2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid
CID 119206239
N,N-diethyl-4-(2-phenylsulfanylethoxy)benzamide
CID 92686107
N-ethyl-4-(2-methoxyethoxy)benzamide
CID 15943034

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid (CID 119206355) is 2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)c1ccc(OCCOC)cc1.
What is the InChIKey of 2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid?
The InChIKey is YMKSHJYCCJODGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-15(10-13(16)17)14(18)11-4-6-12(7-5-11)20-9-8-19-2/h4-7H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid?
2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid is sourced from PubChem (CID 119206355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).