acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione

C13H17N3O4 — CID 162338446

IUPACacetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC(=O)O.CC1(c2cccc(CN)c2)NC(=O)NC1=O
InChIInChI=1S/C11H13N3O2.C2H4O2/c1-11(9(15)13-10(16)14-11)8-4-2-3-7(5-8)6-12;1-2(3)4/h2-5H,6,12H2,1H3,(H2,13,14,15,16);1H3,(H,3,4)
InChIKeyZVBYFFWNHGCODX-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.29
Rot. Bonds2

About acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione

acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 162338446) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Nameacetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID162338446
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Nameacetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC(=O)O.CC1(c2cccc(CN)c2)NC(=O)NC1=O
InChIInChI=1S/C11H13N3O2.C2H4O2/c1-11(9(15)13-10(16)14-11)8-4-2-3-7(5-8)6-12;1-2(3)4/h2-5H,6,12H2,1H3,(H2,13,14,15,16);1H3,(H,3,4)
InChIKeyZVBYFFWNHGCODX-UHFFFAOYSA-N
XLogP0.29
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
2-[methyl-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]acetic acid
CID 120513707
2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
CID 119292140
4-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]butanoic acid
CID 120513436
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 51949404
7-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]heptanoic acid
CID 120524062
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 52502832
5-acetyl-N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-1,3-dihydroisoindole-2-carboxamide
CID 154872827
(5S)-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 30121383
3,3-dicyclopropyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]prop-2-enamide
CID 97021835
1-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-4-carboxylic acid
CID 120512322
5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide
CID 60513548

Frequently Asked Questions

What is the IUPAC name of acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione (CID 162338446) is acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione is CC(=O)O.CC1(c2cccc(CN)c2)NC(=O)NC1=O.
What is the InChIKey of acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ZVBYFFWNHGCODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.C2H4O2/c1-11(9(15)13-10(16)14-11)8-4-2-3-7(5-8)6-12;1-2(3)4/h2-5H,6,12H2,1H3,(H2,13,14,15,16);1H3,(H,3,4).
What are the key properties of acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione?
acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 279.30 g/mol, XLogP of 0.29, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-[3-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 162338446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).