methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate

C9H15NO3 — CID 129407677

IUPACmethyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)[C@]1(N)C[C@]12CCCOC2
InChIInChI=1S/C9H15NO3/c1-12-7(11)9(10)5-8(9)3-2-4-13-6-8/h2-6,10H2,1H3/t8-,9+/m0/s1
InChIKeyYJJAOAHABOZKOS-DTWKUNHWSA-N
MW185.22 g/mol
LogP0.06
Rot. Bonds1

About methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate

methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate (PubChem CID 129407677) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate
PubChem CID129407677
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)[C@]1(N)C[C@]12CCCOC2
InChIInChI=1S/C9H15NO3/c1-12-7(11)9(10)5-8(9)3-2-4-13-6-8/h2-6,10H2,1H3/t8-,9+/m0/s1
InChIKeyYJJAOAHABOZKOS-DTWKUNHWSA-N
XLogP0.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate 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

methyl 2-amino-5-oxaspiro[2.5]octane-2-carboxylate
CID 84660136
(2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid
CID 129407585
methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride
CID 67031572
methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
CID 67031096
methyl 10-aminospiro[4.5]decane-10-carboxylate
CID 83909665
methyl 2-amino-6-thiaspiro[2.5]octane-2-carboxylate
CID 84670226
methyl 2-(3-aminooxan-3-yl)acetate
CID 75356322
ethyl 3-aminooxane-3-carboxylate;hydrochloride
CID 138991136
(2-amino-5-oxaspiro[2.5]octan-2-yl)methanol
CID 84650597
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate
CID 115016491
6-O-tert-butyl 2-O-methyl 2-amino-6-azaspiro[2.5]octane-2,6-dicarboxylate
CID 84715284

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate?
The IUPAC name of methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate (CID 129407677) is methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate is COC(=O)[C@]1(N)C[C@]12CCCOC2.
What is the InChIKey of methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate?
The InChIKey is YJJAOAHABOZKOS-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-7(11)9(10)5-8(9)3-2-4-13-6-8/h2-6,10H2,1H3/t8-,9+/m0/s1.
What are the key properties of methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate?
methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-amino-5-oxaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 129407677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).