3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione

C11H18N2O3 — CID 102733656

IUPAC3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(N[C@@H]2CCC[C@H]2O)C1=O
InChIInChI=1S/C11H18N2O3/c1-13-10(15)6-5-8(11(13)16)12-7-3-2-4-9(7)14/h7-9,12,14H,2-6H2,1H3/t7-,8?,9-/m1/s1
InChIKeyBGBNOKXDEFQMDD-PSGOWDBMSA-N
MW226.28 g/mol
LogP-0.36
Rot. Bonds2

About 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione

3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione (PubChem CID 102733656) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione
PubChem CID102733656
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(N[C@@H]2CCC[C@H]2O)C1=O
InChIInChI=1S/C11H18N2O3/c1-13-10(15)6-5-8(11(13)16)12-7-3-2-4-9(7)14/h7-9,12,14H,2-6H2,1H3/t7-,8?,9-/m1/s1
InChIKeyBGBNOKXDEFQMDD-PSGOWDBMSA-N
XLogP-0.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione (CID 102733656) is 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(N[C@@H]2CCC[C@H]2O)C1=O.
What is the InChIKey of 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione?
The InChIKey is BGBNOKXDEFQMDD-PSGOWDBMSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13-10(15)6-5-8(11(13)16)12-7-3-2-4-9(7)14/h7-9,12,14H,2-6H2,1H3/t7-,8?,9-/m1/s1.
What are the key properties of 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione?
3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione has a molecular weight of 226.28 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 102733656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).