acetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane

C18H29N3O5 — CID 155972941

IUPACacetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCC(=O)O.CC(=O)O.c1cn(C2COC3(CCNCC3)C2)c(C2CC2)n1
InChIInChI=1S/C14H21N3O.2C2H4O2/c1-2-11(1)13-16-7-8-17(13)12-9-14(18-10-12)3-5-15-6-4-14;2*1-2(3)4/h7-8,11-12,15H,1-6,9-10H2;2*1H3,(H,3,4)
InChIKeyUHKDYFYFBDCMQM-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.03
Rot. Bonds2

About acetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane

acetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 155972941) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is acetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Nameacetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID155972941
Molecular FormulaC18H29N3O5
Molecular Weight367.45 g/mol
Exact Mass367.21
IUPAC Nameacetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCC(=O)O.CC(=O)O.c1cn(C2COC3(CCNCC3)C2)c(C2CC2)n1
InChIInChI=1S/C14H21N3O.2C2H4O2/c1-2-11(1)13-16-7-8-17(13)12-9-14(18-10-12)3-5-15-6-4-14;2*1-2(3)4/h7-8,11-12,15H,1-6,9-10H2;2*1H3,(H,3,4)
InChIKeyUHKDYFYFBDCMQM-UHFFFAOYSA-N
XLogP2.03
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of acetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane (CID 155972941) is acetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for acetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for acetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane is CC(=O)O.CC(=O)O.c1cn(C2COC3(CCNCC3)C2)c(C2CC2)n1.
What is the InChIKey of acetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is UHKDYFYFBDCMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2C2H4O2/c1-2-11(1)13-16-7-8-17(13)12-9-14(18-10-12)3-5-15-6-4-14;2*1-2(3)4/h7-8,11-12,15H,1-6,9-10H2;2*1H3,(H,3,4).
What are the key properties of acetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane?
acetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 367.45 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-(2-cyclopropylimidazol-1-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 155972941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).