3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione

C10H18N4O2 — CID 103576544

IUPAC3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1CN(CCN2C(=O)CNC2=O)CC1N
InChIInChI=1S/C10H18N4O2/c1-7-5-13(6-8(7)11)2-3-14-9(15)4-12-10(14)16/h7-8H,2-6,11H2,1H3,(H,12,16)
InChIKeyMAUZYLDAVWIAIE-UHFFFAOYSA-N
MW226.28 g/mol
LogP-1.18
Rot. Bonds3

About 3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione

3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 103576544) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
PubChem CID103576544
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1CN(CCN2C(=O)CNC2=O)CC1N
InChIInChI=1S/C10H18N4O2/c1-7-5-13(6-8(7)11)2-3-14-9(15)4-12-10(14)16/h7-8H,2-6,11H2,1H3,(H,12,16)
InChIKeyMAUZYLDAVWIAIE-UHFFFAOYSA-N
XLogP-1.18
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 120758501
1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 103576927
3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124780397
3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 60966909
4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 130871238
3-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]imidazolidine-2,4-dione
CID 114779631
3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121183971
4-methyl-1-(2-propylsulfonylethyl)pyrrolidin-3-amine
CID 106728081
3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 81492860
3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 103601173
3-[2-[(3-methylcyclopentyl)amino]ethyl]imidazolidine-2,4-dione
CID 115653884
1-(2-cyclohexylethyl)-4-methylpyrrolidin-3-amine
CID 103575423

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione (CID 103576544) is 3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione is CC1CN(CCN2C(=O)CNC2=O)CC1N.
What is the InChIKey of 3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is MAUZYLDAVWIAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7-5-13(6-8(7)11)2-3-14-9(15)4-12-10(14)16/h7-8H,2-6,11H2,1H3,(H,12,16).
What are the key properties of 3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione?
3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of -1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 103576544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).