[3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C20H27NO6 — CID 163318255

IUPAC[3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1cc(O)cc(OCC2CC2)c1)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O
InChIInChI=1S/C20H27NO6/c22-15-9-14(10-16(11-15)26-12-13-1-2-13)19(25)21-6-4-20(5-7-21)18(24)17(23)3-8-27-20/h9-11,13,17-18,22-24H,1-8,12H2/t17-,18-/m0/s1
InChIKeyKABXIJSLGBSYGM-ROUUACIJSA-N
MW377.44 g/mol
LogP1.30
Rot. Bonds4

About [3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

[3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 163318255) has the molecular formula C20H27NO6 and a molecular weight of 377.44 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID163318255
Molecular FormulaC20H27NO6
Molecular Weight377.44 g/mol
Exact Mass377.18
IUPAC Name[3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESO=C(c1cc(O)cc(OCC2CC2)c1)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O
InChIInChI=1S/C20H27NO6/c22-15-9-14(10-16(11-15)26-12-13-1-2-13)19(25)21-6-4-20(5-7-21)18(24)17(23)3-8-27-20/h9-11,13,17-18,22-24H,1-8,12H2/t17-,18-/m0/s1
InChIKeyKABXIJSLGBSYGM-ROUUACIJSA-N
XLogP1.30
TPSA99.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of [3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 163318255) is [3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for [3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for [3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is O=C(c1cc(O)cc(OCC2CC2)c1)N1CCC2(CC1)OCC[C@H](O)[C@@H]2O.
What is the InChIKey of [3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is KABXIJSLGBSYGM-ROUUACIJSA-N. The full InChI is InChI=1S/C20H27NO6/c22-15-9-14(10-16(11-15)26-12-13-1-2-13)19(25)21-6-4-20(5-7-21)18(24)17(23)3-8-27-20/h9-11,13,17-18,22-24H,1-8,12H2/t17-,18-/m0/s1.
What are the key properties of [3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
[3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 377.44 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 163318255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).