2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid

C12H13N3O4 — CID 137219103

IUPAC2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid
SMILESC/N=C1\NC(=O)C(c2ccc(OCC(=O)O)cc2)N1
InChIInChI=1S/C12H13N3O4/c1-13-12-14-10(11(18)15-12)7-2-4-8(5-3-7)19-6-9(16)17/h2-5,10H,6H2,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyRKIPARAJEFJIER-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.10
Rot. Bonds4

About 2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid

2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid (PubChem CID 137219103) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid
PubChem CID137219103
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid
SMILESC/N=C1\NC(=O)C(c2ccc(OCC(=O)O)cc2)N1
InChIInChI=1S/C12H13N3O4/c1-13-12-14-10(11(18)15-12)7-2-4-8(5-3-7)19-6-9(16)17/h2-5,10H,6H2,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyRKIPARAJEFJIER-UHFFFAOYSA-N
XLogP-0.10
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 708719
2-(4-pyrrolidin-3-ylphenoxy)acetic acid
CID 115032579
2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]acetic acid
CID 1080337
2-[4-(3,3-dimethylpiperidin-2-yl)phenoxy]acetic acid
CID 164531370
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554
2-[4-[(Z)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]phenoxy]acetic acid
CID 9012496
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772383
(5R)-5-[4-(cyclopropylmethoxy)phenyl]imidazolidine-2,4-dione
CID 141182513
2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
CID 54945921
methyl (4S)-4-[4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691661
methyl (4R)-4-[4-(2-amino-2-oxoethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 697433

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid (CID 137219103) is 2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid is C/N=C1\NC(=O)C(c2ccc(OCC(=O)O)cc2)N1.
What is the InChIKey of 2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid?
The InChIKey is RKIPARAJEFJIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-13-12-14-10(11(18)15-12)7-2-4-8(5-3-7)19-6-9(16)17/h2-5,10H,6H2,1H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid?
2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid has a molecular weight of 263.25 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylimino-5-oxoimidazolidin-4-yl)phenoxy]acetic acid is sourced from PubChem (CID 137219103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).