(3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione

C11H20N2O3P+ — CID 101472007

IUPAC(3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione
SMILESCC(C)[C@H]1N[P+]2(CC1=O)N[C@H](C(C)C)C(=O)O2
InChIInChI=1S/C11H20N2O3P/c1-6(2)9-8(14)5-17(12-9)13-10(7(3)4)11(15)16-17/h6-7,9-10,12-13H,5H2,1-4H3/q+1/t9-,10-,17?/m1/s1
InChIKeyDLZWRBKSFXYTNP-CXYCCAGISA-N
MW259.27 g/mol
LogP1.12
Rot. Bonds2

About (3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione

(3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione (PubChem CID 101472007) has the molecular formula C11H20N2O3P+ and a molecular weight of 259.27 g/mol. Its IUPAC name is (3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione.

Molecular Properties

Compound Name(3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione
PubChem CID101472007
Molecular FormulaC11H20N2O3P+
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name(3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione
SMILESCC(C)[C@H]1N[P+]2(CC1=O)N[C@H](C(C)C)C(=O)O2
InChIInChI=1S/C11H20N2O3P/c1-6(2)9-8(14)5-17(12-9)13-10(7(3)4)11(15)16-17/h6-7,9-10,12-13H,5H2,1-4H3/q+1/t9-,10-,17?/m1/s1
InChIKeyDLZWRBKSFXYTNP-CXYCCAGISA-N
XLogP1.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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trans-(12S,17S)-12,17-di(propan-2-yl)-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,14,15,18-tetrone
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Frequently Asked Questions

What is the IUPAC name of (3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione?
The IUPAC name of (3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione (CID 101472007) is (3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione.
What is the SMILES notation for (3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione?
The canonical SMILES for (3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione is CC(C)[C@H]1N[P+]2(CC1=O)N[C@H](C(C)C)C(=O)O2.
What is the InChIKey of (3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione?
The InChIKey is DLZWRBKSFXYTNP-CXYCCAGISA-N. The full InChI is InChI=1S/C11H20N2O3P/c1-6(2)9-8(14)5-17(12-9)13-10(7(3)4)11(15)16-17/h6-7,9-10,12-13H,5H2,1-4H3/q+1/t9-,10-,17?/m1/s1.
What are the key properties of (3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione?
(3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione has a molecular weight of 259.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R)-3,7-di(propan-2-yl)-1-oxa-4,6-diaza-5-phosphoniaspiro[4.4]nonane-2,8-dione is sourced from PubChem (CID 101472007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).