3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

C16H22N4O2 — CID 120758501

IUPAC3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESNC[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1c1ccccc1
InChIInChI=1S/C16H22N4O2/c17-8-13-10-19(6-7-20-15(21)9-18-16(20)22)11-14(13)12-4-2-1-3-5-12/h1-5,13-14H,6-11,17H2,(H,18,22)/t13-,14+/m1/s1
InChIKeyOEWBWDGSTGFINW-KGLIPLIRSA-N
MW302.38 g/mol
LogP0.21
Rot. Bonds5

About 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione

3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 120758501) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID120758501
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESNC[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1c1ccccc1
InChIInChI=1S/C16H22N4O2/c17-8-13-10-19(6-7-20-15(21)9-18-16(20)22)11-14(13)12-4-2-1-3-5-12/h1-5,13-14H,6-11,17H2,(H,18,22)/t13-,14+/m1/s1
InChIKeyOEWBWDGSTGFINW-KGLIPLIRSA-N
XLogP0.21
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.21
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

1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 120760183
[(3R,4R)-4-phenyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 120759911
3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 95176586
[(3R,4R)-4-phenyl-1-(2-propan-2-ylsulfonylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120758596
3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 103576544
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(4-chlorophenyl)propanamide
CID 120758748
[(3R,4R)-1-(cyclobutylmethyl)-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759708
[(3R,4R)-1-[2-(4-nitrophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760160
3-[[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride
CID 120749703
[(3R,4R)-4-phenyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methanamine
CID 120769292
[(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846682
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-(azepan-1-yl)ethanone
CID 120759847

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 120758501) is 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is NC[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1c1ccccc1.
What is the InChIKey of 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is OEWBWDGSTGFINW-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-8-13-10-19(6-7-20-15(21)9-18-16(20)22)11-14(13)12-4-2-1-3-5-12/h1-5,13-14H,6-11,17H2,(H,18,22)/t13-,14+/m1/s1.
What are the key properties of 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione?
3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 302.38 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 120758501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).