(5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid

C8H13NO4 — CID 170168691

IUPAC(5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid
SMILESO=C(O)N1C[C@@H](CO)OC2(CC2)C1
InChIInChI=1S/C8H13NO4/c10-4-6-3-9(7(11)12)5-8(13-6)1-2-8/h6,10H,1-5H2,(H,11,12)/t6-/m0/s1
InChIKeyBTBKLVNBLLTMID-LURJTMIESA-N
MW187.19 g/mol
LogP-0.11
Rot. Bonds1

About (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid

(5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid (PubChem CID 170168691) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid.

Molecular Properties

Compound Name(5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid
PubChem CID170168691
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid
SMILESO=C(O)N1C[C@@H](CO)OC2(CC2)C1
InChIInChI=1S/C8H13NO4/c10-4-6-3-9(7(11)12)5-8(13-6)1-2-8/h6,10H,1-5H2,(H,11,12)/t6-/m0/s1
InChIKeyBTBKLVNBLLTMID-LURJTMIESA-N
XLogP-0.11
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-amino-6-fluorophenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxylic acid
CID 118356506
(2S,6R)-2-(dimethylcarbamoyl)-6-(hydroxymethyl)morpholine-4-carboxylic acid
CID 118306499
tert-butyl 6-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 71762894
(2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid
CID 107829358
1-[[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 114777601
(2S)-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanedioic acid
CID 104969899
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409
(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 104969896
2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114776775
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid
CID 114777782
[1-(aminomethyl)cyclopentyl]-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776550
2-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzoic acid
CID 114776496

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid?
The IUPAC name of (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid (CID 170168691) is (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid.
What is the SMILES notation for (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid?
The canonical SMILES for (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid is O=C(O)N1C[C@@H](CO)OC2(CC2)C1.
What is the InChIKey of (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid?
The InChIKey is BTBKLVNBLLTMID-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO4/c10-4-6-3-9(7(11)12)5-8(13-6)1-2-8/h6,10H,1-5H2,(H,11,12)/t6-/m0/s1.
What are the key properties of (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid?
(5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid is sourced from PubChem (CID 170168691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).