2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid

C13H18N2O5 — CID 79282011

IUPAC2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
SMILESCOCCNCC(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C13H18N2O5/c1-19-6-5-14-8-12(16)15-10-3-2-4-11(7-10)20-9-13(17)18/h2-4,7,14H,5-6,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyHOIZWZFUPTUYNT-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.32
Rot. Bonds9

About 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid

2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid (PubChem CID 79282011) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
PubChem CID79282011
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
SMILESCOCCNCC(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C13H18N2O5/c1-19-6-5-14-8-12(16)15-10-3-2-4-11(7-10)20-9-13(17)18/h2-4,7,14H,5-6,8-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyHOIZWZFUPTUYNT-UHFFFAOYSA-N
XLogP0.32
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate
CID 119713774
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
2-(2-methoxyethylamino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54819962
N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281343
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
CID 61186992
2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid
CID 119224688
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
2-(cyclopropylmethylamino)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723471
4-[3-(2-methoxyethoxy)anilino]-4-oxobutanoic acid
CID 17169763
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281170

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid (CID 79282011) is 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid is COCCNCC(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid?
The InChIKey is HOIZWZFUPTUYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-19-6-5-14-8-12(16)15-10-3-2-4-11(7-10)20-9-13(17)18/h2-4,7,14H,5-6,8-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid?
2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 0.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 79282011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).