(10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one

C20H34N2O5 — CID 155993044

IUPAC(10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
SMILESCN1CCC2(CCCCN(C(=O)C3CC3)CC[C@H](O)[C@H](O)COC2=O)CC1
InChIInChI=1S/C20H34N2O5/c1-21-12-8-20(9-13-21)7-2-3-10-22(18(25)15-4-5-15)11-6-16(23)17(24)14-27-19(20)26/h15-17,23-24H,2-14H2,1H3/t16-,17+/m0/s1
InChIKeyYSTUXZGPNBYEJB-DLBZAZTESA-N
MW382.50 g/mol
LogP0.78
Rot. Bonds1

About (10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one

(10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one (PubChem CID 155993044) has the molecular formula C20H34N2O5 and a molecular weight of 382.50 g/mol. Its IUPAC name is (10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one.

Molecular Properties

Compound Name(10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
PubChem CID155993044
Molecular FormulaC20H34N2O5
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Name(10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
SMILESCN1CCC2(CCCCN(C(=O)C3CC3)CC[C@H](O)[C@H](O)COC2=O)CC1
InChIInChI=1S/C20H34N2O5/c1-21-12-8-20(9-13-21)7-2-3-10-22(18(25)15-4-5-15)11-6-16(23)17(24)14-27-19(20)26/h15-17,23-24H,2-14H2,1H3/t16-,17+/m0/s1
InChIKeyYSTUXZGPNBYEJB-DLBZAZTESA-N
XLogP0.78
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(10R,11S)-14-[4-(dimethylamino)benzoyl]-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993561
(10R,11S)-10,11-dihydroxy-3-methyl-14-(1H-pyrazole-5-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993041
(10R,11S)-14-(2-amino-1,3-thiazole-4-carbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993059
(10R,11S)-10,11-dihydroxy-14-(3-imidazol-1-ylpropanoyl)-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993559
(10R,11S)-3-benzyl-14-[3-(dimethylamino)propanoyl]-10,11-dihydroxy-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993125
(10R,11S)-10,11-dihydroxy-14-(2-methoxyacetyl)-3-(pyridin-4-ylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 110071325
(10R,11S)-3-benzyl-10,11-dihydroxy-14-(3-methylpyridine-4-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993599
(10R,11S)-3-benzyl-14-(4-fluorobenzoyl)-10,11-dihydroxy-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993116
(10R,11S)-3-benzyl-10,11-dihydroxy-14-(6-methoxypyridine-3-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993169
(10R,11S)-10,11-dihydroxy-14-(pyridine-4-carbonyl)-3-(pyridin-2-ylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993094
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
(10R,11S)-3-benzyl-10,11-dihydroxy-14-(2-oxo-1H-pyridine-4-carbonyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 171688509

Frequently Asked Questions

What is the IUPAC name of (10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?
The IUPAC name of (10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one (CID 155993044) is (10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one.
What is the SMILES notation for (10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?
The canonical SMILES for (10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one is CN1CCC2(CCCCN(C(=O)C3CC3)CC[C@H](O)[C@H](O)COC2=O)CC1.
What is the InChIKey of (10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?
The InChIKey is YSTUXZGPNBYEJB-DLBZAZTESA-N. The full InChI is InChI=1S/C20H34N2O5/c1-21-12-8-20(9-13-21)7-2-3-10-22(18(25)15-4-5-15)11-6-16(23)17(24)14-27-19(20)26/h15-17,23-24H,2-14H2,1H3/t16-,17+/m0/s1.
What are the key properties of (10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one?
(10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one has a molecular weight of 382.50 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11S)-14-(cyclopropanecarbonyl)-10,11-dihydroxy-3-methyl-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one is sourced from PubChem (CID 155993044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).