8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H24N2O5 — CID 95870119

IUPAC8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccccc1OC[C@H](O)C(=O)N1CCC2(CC1)CN(C)C(=O)O2
InChIInChI=1S/C18H24N2O5/c1-13-5-3-4-6-15(13)24-11-14(21)16(22)20-9-7-18(8-10-20)12-19(2)17(23)25-18/h3-6,14,21H,7-12H2,1-2H3/t14-/m0/s1
InChIKeyRREIUUGGUWTPAP-AWEZNQCLSA-N
MW348.40 g/mol
LogP1.18
Rot. Bonds4

About 8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 95870119) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID95870119
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccccc1OC[C@H](O)C(=O)N1CCC2(CC1)CN(C)C(=O)O2
InChIInChI=1S/C18H24N2O5/c1-13-5-3-4-6-15(13)24-11-14(21)16(22)20-9-7-18(8-10-20)12-19(2)17(23)25-18/h3-6,14,21H,7-12H2,1-2H3/t14-/m0/s1
InChIKeyRREIUUGGUWTPAP-AWEZNQCLSA-N
XLogP1.18
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(2R)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-1-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 125165060
(2R)-2-hydroxy-3-(2-methylphenoxy)-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)propan-1-one
CID 125170702
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
CID 131910721
2-hydroxy-3-(2-methylphenoxy)-1-(3-morpholin-4-ylazetidin-1-yl)propan-1-one
CID 91766344
3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911386
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-hydroxy-3-(2-methylphenoxy)propan-1-one
CID 131935960
3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56886874
3-methyl-2-oxo-N-[(2S)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 126434188
2-amino-4-[4-[2-hydroxy-3-(2-methylphenoxy)propanoyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136665303
3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70718560
(5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95714736

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 95870119) is 8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1ccccc1OC[C@H](O)C(=O)N1CCC2(CC1)CN(C)C(=O)O2.
What is the InChIKey of 8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RREIUUGGUWTPAP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-13-5-3-4-6-15(13)24-11-14(21)16(22)20-9-7-18(8-10-20)12-19(2)17(23)25-18/h3-6,14,21H,7-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 348.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2-hydroxy-3-(2-methylphenoxy)propanoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95870119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).