1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione

C10H17N3O4 — CID 43166058

IUPAC1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione
SMILESCCCNCC(O)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C10H17N3O4/c1-3-4-11-5-7(14)6-13-9(16)8(15)12(2)10(13)17/h7,11,14H,3-6H2,1-2H3
InChIKeyIPGQPUJSAXMZDK-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.23
Rot. Bonds6

About 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione

1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 43166058) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID43166058
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione
SMILESCCCNCC(O)CN1C(=O)C(=O)N(C)C1=O
InChIInChI=1S/C10H17N3O4/c1-3-4-11-5-7(14)6-13-9(16)8(15)12(2)10(13)17/h7,11,14H,3-6H2,1-2H3
InChIKeyIPGQPUJSAXMZDK-UHFFFAOYSA-N
XLogP-1.23
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(Diethylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 2909095
3-[3-(Dimethylamino)-2-hydroxypropyl]-5,5-dimethyl-1,3-diazolidine-2,4-dione
CID 3133125
3,3'-(2-Hydroxypropane-1,3-diyl)bis(5,5-dimethylimidazolidine-2,4-dione)
CID 648961
3-[2-Hydroxy-3-(1-pyrrolidinyl)propyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 2909886
3-(3-Dibutylamino-2-hydroxy-propyl)-5,5-dimethyl-imidazolidine-2,4-dione
CID 2884173
3-[3-(Dipropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 3145439
3-[3-(Diisopropylamino)-2-hydroxypropyl]-5,5-dimethyl-2,4-imidazolidinedione
CID 2907686
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, salt with (2,5-dioxo-4-imidazolidinyl)urea (1:1)
CID 44151541
N'-[(2R)-2-fluoro-1-(methylamino)propyl]-N-(2-hydroxypropyl)oxamide
CID 174065776
3-(2-Hydroxypropyl)-5,5-dimethylimidazolidine-2,4-dione
CID 588469
3-[2-Hydroxy-3-(propylamino)propyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64264668
3-(3-Amino-2-hydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64265275

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione (CID 43166058) is 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione is CCCNCC(O)CN1C(=O)C(=O)N(C)C1=O.
What is the InChIKey of 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is IPGQPUJSAXMZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-3-4-11-5-7(14)6-13-9(16)8(15)12(2)10(13)17/h7,11,14H,3-6H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione?
1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 243.26 g/mol, XLogP of -1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(propylamino)propyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 43166058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).