(1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one

C16H27NO4 — CID 11978484

IUPAC(1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
SMILESCCCCCCCCCCC(=O)[C@]12O[C@H]1C(C)(O)NC2=O
InChIInChI=1S/C16H27NO4/c1-3-4-5-6-7-8-9-10-11-12(18)16-13(21-16)15(2,20)17-14(16)19/h13,20H,3-11H2,1-2H3,(H,17,19)/t13-,15?,16-/m0/s1
InChIKeyQDOHLANXRYUEBQ-VFDRBLODSA-N
MW297.39 g/mol
LogP2.06
Rot. Bonds10

About (1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one

(1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 11978484) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is (1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID11978484
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name(1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
SMILESCCCCCCCCCCC(=O)[C@]12O[C@H]1C(C)(O)NC2=O
InChIInChI=1S/C16H27NO4/c1-3-4-5-6-7-8-9-10-11-12(18)16-13(21-16)15(2,20)17-14(16)19/h13,20H,3-11H2,1-2H3,(H,17,19)/t13-,15?,16-/m0/s1
InChIKeyQDOHLANXRYUEBQ-VFDRBLODSA-N
XLogP2.06
TPSA78.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(1R,5R)-1-dodecanoyl-4-hydroxy-4-methyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
CID 9972760
(1R,5R)-4-hydroxy-4-methyl-1-(2-methylundecanoyl)-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
CID 44393783
(1R,4S,5S)-4-butyl-4-hydroxy-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
CID 145954288
(+)-Epogymnolactam
CID 101883983
(1S,5R)-4-butyl-4-hydroxy-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
CID 132553543
Euvesperin A
CID 139589384
4-Butyl-4-hydroxy-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
CID 163064695
(1R,5R)-1-dodecanoyl-4-hydroxy-4,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
CID 9973604
(1R,5R)-4-hydroxy-4-methyl-1-octadecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
CID 10000789
(1R,5R)-1-hexanoyl-4-hydroxy-4-methyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
CID 11148859
(1S,5R)-1-dodecanoyl-4-hydroxy-4-methyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
CID 101267804
(1S,4R,5S)-4-hydroxy-1-[(2S)-2-hydroxy-2-methyloctanoyl]-4-propan-2-yl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one
CID 162816344

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one (CID 11978484) is (1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one is CCCCCCCCCCC(=O)[C@]12O[C@H]1C(C)(O)NC2=O.
What is the InChIKey of (1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is QDOHLANXRYUEBQ-VFDRBLODSA-N. The full InChI is InChI=1S/C16H27NO4/c1-3-4-5-6-7-8-9-10-11-12(18)16-13(21-16)15(2,20)17-14(16)19/h13,20H,3-11H2,1-2H3,(H,17,19)/t13-,15?,16-/m0/s1.
What are the key properties of (1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one?
(1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 297.39 g/mol, XLogP of 2.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-4-hydroxy-4-methyl-1-undecanoyl-6-oxa-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 11978484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).