(3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione

C18H31N3O3 — CID 58635369

IUPAC(3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)[C@@H]([C@H](O)C2CCCC2)NC(=O)C12CCNCC2
InChIInChI=1S/C18H31N3O3/c1-2-3-12-21-16(23)14(15(22)13-6-4-5-7-13)20-17(24)18(21)8-10-19-11-9-18/h13-15,19,22H,2-12H2,1H3,(H,20,24)/t14-,15-/m1/s1
InChIKeyDFNPQWZPUIWSGI-HUUCEWRRSA-N
MW337.46 g/mol
LogP0.79
Rot. Bonds5

About (3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione

(3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione (PubChem CID 58635369) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is (3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name(3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
PubChem CID58635369
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name(3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)[C@@H]([C@H](O)C2CCCC2)NC(=O)C12CCNCC2
InChIInChI=1S/C18H31N3O3/c1-2-3-12-21-16(23)14(15(22)13-6-4-5-7-13)20-17(24)18(21)8-10-19-11-9-18/h13-15,19,22H,2-12H2,1H3,(H,20,24)/t14-,15-/m1/s1
InChIKeyDFNPQWZPUIWSGI-HUUCEWRRSA-N
XLogP0.79
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of (3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione (CID 58635369) is (3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for (3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for (3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione is CCCCN1C(=O)[C@@H]([C@H](O)C2CCCC2)NC(=O)C12CCNCC2.
What is the InChIKey of (3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The InChIKey is DFNPQWZPUIWSGI-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-2-3-12-21-16(23)14(15(22)13-6-4-5-7-13)20-17(24)18(21)8-10-19-11-9-18/h13-15,19,22H,2-12H2,1H3,(H,20,24)/t14-,15-/m1/s1.
What are the key properties of (3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
(3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione has a molecular weight of 337.46 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 58635369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).