(3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid

C10H15NO6 — CID 141287005

IUPAC(3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESCOC(=O)[C@@H]1CC2(CN1C(=O)O)OCCCO2
InChIInChI=1S/C10H15NO6/c1-15-8(12)7-5-10(6-11(7)9(13)14)16-3-2-4-17-10/h7H,2-6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyKXRWDDZFULISPI-ZETCQYMHSA-N
MW245.23 g/mol
LogP0.04
Rot. Bonds1

About (3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid

(3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid (PubChem CID 141287005) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is (3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid
PubChem CID141287005
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name(3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESCOC(=O)[C@@H]1CC2(CN1C(=O)O)OCCCO2
InChIInChI=1S/C10H15NO6/c1-15-8(12)7-5-10(6-11(7)9(13)14)16-3-2-4-17-10/h7H,2-6H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyKXRWDDZFULISPI-ZETCQYMHSA-N
XLogP0.04
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of (3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid (CID 141287005) is (3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for (3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for (3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid is COC(=O)[C@@H]1CC2(CN1C(=O)O)OCCCO2.
What is the InChIKey of (3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is KXRWDDZFULISPI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15NO6/c1-15-8(12)7-5-10(6-11(7)9(13)14)16-3-2-4-17-10/h7H,2-6H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid?
(3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxycarbonyl-6,10-dioxa-2-azaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 141287005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).