(2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid

C8H13NO3 — CID 129407585

IUPAC(2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid
SMILESN[C@]1(C(=O)O)C[C@@]12CCCOC2
InChIInChI=1S/C8H13NO3/c9-8(6(10)11)4-7(8)2-1-3-12-5-7/h1-5,9H2,(H,10,11)/t7-,8+/m1/s1
InChIKeyIRIOJECYBNCKDI-SFYZADRCSA-N
MW171.20 g/mol
LogP-0.03
Rot. Bonds1

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

(2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid (PubChem CID 129407585) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid
PubChem CID129407585
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid
SMILESN[C@]1(C(=O)O)C[C@@]12CCCOC2
InChIInChI=1S/C8H13NO3/c9-8(6(10)11)4-7(8)2-1-3-12-5-7/h1-5,9H2,(H,10,11)/t7-,8+/m1/s1
InChIKeyIRIOJECYBNCKDI-SFYZADRCSA-N
XLogP-0.03
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of (2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid (CID 129407585) is (2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for (2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid is N[C@]1(C(=O)O)C[C@@]12CCCOC2.
What is the InChIKey of (2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is IRIOJECYBNCKDI-SFYZADRCSA-N. The full InChI is InChI=1S/C8H13NO3/c9-8(6(10)11)4-7(8)2-1-3-12-5-7/h1-5,9H2,(H,10,11)/t7-,8+/m1/s1.
What are the key properties of (2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid?
(2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-5-oxaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 129407585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).