(5S)-5-(3-aminopropyl)imidazolidine-2,4-dione

C6H11N3O2 — CID 53243149

IUPAC(5S)-5-(3-aminopropyl)imidazolidine-2,4-dione
SMILESNCCC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C6H11N3O2/c7-3-1-2-4-5(10)9-6(11)8-4/h4H,1-3,7H2,(H2,8,9,10,11)/t4-/m0/s1
InChIKeySSCQGFVQZYZZSY-BYPYZUCNSA-N
MW157.17 g/mol
LogP-1.07
Rot. Bonds3

About (5S)-5-(3-aminopropyl)imidazolidine-2,4-dione

(5S)-5-(3-aminopropyl)imidazolidine-2,4-dione (PubChem CID 53243149) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is (5S)-5-(3-aminopropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3-aminopropyl)imidazolidine-2,4-dione
PubChem CID53243149
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name(5S)-5-(3-aminopropyl)imidazolidine-2,4-dione
SMILESNCCC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C6H11N3O2/c7-3-1-2-4-5(10)9-6(11)8-4/h4H,1-3,7H2,(H2,8,9,10,11)/t4-/m0/s1
InChIKeySSCQGFVQZYZZSY-BYPYZUCNSA-N
XLogP-1.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-aminopropyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3-aminopropyl)imidazolidine-2,4-dione (CID 53243149) is (5S)-5-(3-aminopropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3-aminopropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3-aminopropyl)imidazolidine-2,4-dione is NCCC[C@@H]1NC(=O)NC1=O.
What is the InChIKey of (5S)-5-(3-aminopropyl)imidazolidine-2,4-dione?
The InChIKey is SSCQGFVQZYZZSY-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-3-1-2-4-5(10)9-6(11)8-4/h4H,1-3,7H2,(H2,8,9,10,11)/t4-/m0/s1.
What are the key properties of (5S)-5-(3-aminopropyl)imidazolidine-2,4-dione?
(5S)-5-(3-aminopropyl)imidazolidine-2,4-dione has a molecular weight of 157.17 g/mol, XLogP of -1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-aminopropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 53243149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).