1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione

C10H16N2O3 — CID 172580836

IUPAC1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN([C@H]2CC[C@@H](CO)C2)C(=O)N1
InChIInChI=1S/C10H16N2O3/c13-6-7-1-2-8(5-7)12-4-3-9(14)11-10(12)15/h7-8,13H,1-6H2,(H,11,14,15)/t7-,8+/m1/s1
InChIKeyNNMJTTKFBGYLRR-SFYZADRCSA-N
MW212.25 g/mol
LogP0.09
Rot. Bonds2

About 1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione

1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione (PubChem CID 172580836) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione
PubChem CID172580836
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN([C@H]2CC[C@@H](CO)C2)C(=O)N1
InChIInChI=1S/C10H16N2O3/c13-6-7-1-2-8(5-7)12-4-3-9(14)11-10(12)15/h7-8,13H,1-6H2,(H,11,14,15)/t7-,8+/m1/s1
InChIKeyNNMJTTKFBGYLRR-SFYZADRCSA-N
XLogP0.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione (CID 172580836) is 1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione is O=C1CCN([C@H]2CC[C@@H](CO)C2)C(=O)N1.
What is the InChIKey of 1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione?
The InChIKey is NNMJTTKFBGYLRR-SFYZADRCSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-6-7-1-2-8(5-7)12-4-3-9(14)11-10(12)15/h7-8,13H,1-6H2,(H,11,14,15)/t7-,8+/m1/s1.
What are the key properties of 1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione?
1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 172580836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).