(5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione

C9H15N3O3 — CID 175801905

IUPAC(5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione
SMILESNC[C@@]1(C2CCOCC2)NC(=O)NC1=O
InChIInChI=1S/C9H15N3O3/c10-5-9(6-1-3-15-4-2-6)7(13)11-8(14)12-9/h6H,1-5,10H2,(H2,11,12,13,14)/t9-/m0/s1
InChIKeyJAYBOBKGIGLBLA-VIFPVBQESA-N
MW213.24 g/mol
LogP-1.05
Rot. Bonds2

About (5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione

(5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione (PubChem CID 175801905) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is (5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione
PubChem CID175801905
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name(5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione
SMILESNC[C@@]1(C2CCOCC2)NC(=O)NC1=O
InChIInChI=1S/C9H15N3O3/c10-5-9(6-1-3-15-4-2-6)7(13)11-8(14)12-9/h6H,1-5,10H2,(H2,11,12,13,14)/t9-/m0/s1
InChIKeyJAYBOBKGIGLBLA-VIFPVBQESA-N
XLogP-1.05
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione (CID 175801905) is (5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione is NC[C@@]1(C2CCOCC2)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione?
The InChIKey is JAYBOBKGIGLBLA-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15N3O3/c10-5-9(6-1-3-15-4-2-6)7(13)11-8(14)12-9/h6H,1-5,10H2,(H2,11,12,13,14)/t9-/m0/s1.
What are the key properties of (5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione?
(5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione has a molecular weight of 213.24 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(aminomethyl)-5-(oxan-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 175801905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).