2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid

C12H16N2O5 — CID 61186992

IUPAC2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
SMILESCOCCNC(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C12H16N2O5/c1-18-6-5-13-12(17)14-9-3-2-4-10(7-9)19-8-11(15)16/h2-4,7H,5-6,8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeySLTFOVZQDAMNGC-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.92
Rot. Bonds7

About 2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid

2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid (PubChem CID 61186992) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
PubChem CID61186992
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
SMILESCOCCNC(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C12H16N2O5/c1-18-6-5-13-12(17)14-9-3-2-4-10(7-9)19-8-11(15)16/h2-4,7H,5-6,8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeySLTFOVZQDAMNGC-UHFFFAOYSA-N
XLogP0.92
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-methoxypropylcarbamoylamino)phenoxy]acetic acid
CID 61196148
2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
CID 79282011
2-[3-(pent-3-ynylcarbamoylamino)phenoxy]acetic acid
CID 116644726
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]phenoxy]acetic acid
CID 61199513
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
2-[3-(pent-4-ynylcarbamoylamino)phenoxy]acetic acid
CID 106222868
2-[3-(5-methoxypentanoylamino)phenoxy]acetic acid
CID 119224688
2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
2-[3-(2-prop-2-enylsulfanylethylcarbamoylamino)phenoxy]acetic acid
CID 106430641
methyl 2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetate
CID 119713774
[3-(3-methoxypropylcarbamoylamino)phenyl] acetate
CID 108865105

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid (CID 61186992) is 2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid is COCCNC(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid?
The InChIKey is SLTFOVZQDAMNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-18-6-5-13-12(17)14-9-3-2-4-10(7-9)19-8-11(15)16/h2-4,7H,5-6,8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid?
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid has a molecular weight of 268.27 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 61186992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).