(4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane

C15H27NO2 — CID 99728151

IUPAC(4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane
SMILESC1CC2(CCN1)C[C@@H](CCOCC1CC1)CCO2
InChIInChI=1S/C15H27NO2/c1-2-14(1)12-17-9-3-13-4-10-18-15(11-13)5-7-16-8-6-15/h13-14,16H,1-12H2/t13-/m0/s1
InChIKeyHLVSAIODNKBYFP-ZDUSSCGKSA-N
MW253.39 g/mol
LogP2.35
Rot. Bonds5

About (4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane

(4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 99728151) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name(4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane
PubChem CID99728151
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane
SMILESC1CC2(CCN1)C[C@@H](CCOCC1CC1)CCO2
InChIInChI=1S/C15H27NO2/c1-2-14(1)12-17-9-3-13-4-10-18-15(11-13)5-7-16-8-6-15/h13-14,16H,1-12H2/t13-/m0/s1
InChIKeyHLVSAIODNKBYFP-ZDUSSCGKSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 131663423
(4S)-9-(benzenesulfonyl)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane
CID 164638957
1-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 124801146
4-[2-(cyclohexylmethoxy)ethyl]piperidine
CID 62383196
2-[2-(5-oxa-2-azaspiro[3.5]nonan-8-yl)ethoxy]-1-pyrrolidin-1-ylethanone
CID 131654020
2-[2-[(8S)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone
CID 124786488
1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 56760832
8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 133140989
(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97486843
(8R)-2-[(1-methylpyrazol-4-yl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124819040
2-[2-(cyclopropylmethoxy)ethyl]oxirane
CID 126983130
(3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97487542

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of (4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane (CID 99728151) is (4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for (4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for (4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane is C1CC2(CCN1)C[C@@H](CCOCC1CC1)CCO2.
What is the InChIKey of (4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is HLVSAIODNKBYFP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-14(1)12-17-9-3-13-4-10-18-15(11-13)5-7-16-8-6-15/h13-14,16H,1-12H2/t13-/m0/s1.
What are the key properties of (4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane?
(4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 253.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(cyclopropylmethoxy)ethyl]-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 99728151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).