2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid

C12H19NO3 — CID 80997581

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1N1CCOC2CCCC21
InChIInChI=1S/C12H19NO3/c14-12(15)8-4-5-9(8)13-6-7-16-11-3-1-2-10(11)13/h8-11H,1-7H2,(H,14,15)
InChIKeyHHOUUPDUAQPJRO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.10
Rot. Bonds2

About 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid (PubChem CID 80997581) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid
PubChem CID80997581
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1N1CCOC2CCCC21
InChIInChI=1S/C12H19NO3/c14-12(15)8-4-5-9(8)13-6-7-16-11-3-1-2-10(11)13/h8-11H,1-7H2,(H,14,15)
InChIKeyHHOUUPDUAQPJRO-UHFFFAOYSA-N
XLogP1.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid 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

2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)cyclobutane-1-carboxylic acid
CID 120975238
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 103978400
2-(2-cyclopentylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 63069545
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)cyclopentane-1-carboxylic acid
CID 64815380
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 64752735
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methylpropanoic acid
CID 82235576
2-(oxolan-2-yl)cyclopropane-1-carboxylic acid
CID 82836902
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one
CID 79644213
(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 170523770
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol
CID 79640625
2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]cyclobutane-1-carboxylic acid
CID 83103874
2-(2,5-dimethylmorpholin-4-yl)cyclobutane-1-carboxylic acid
CID 80997136

Frequently Asked Questions

What is the IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid (CID 80997581) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1N1CCOC2CCCC21.
What is the InChIKey of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid?
The InChIKey is HHOUUPDUAQPJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-12(15)8-4-5-9(8)13-6-7-16-11-3-1-2-10(11)13/h8-11H,1-7H2,(H,14,15).
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80997581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).