2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid

C8H13NO3 — CID 175711644

IUPAC2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid
SMILESO=C(O)N1CCC2(CC2CO)C1
InChIInChI=1S/C8H13NO3/c10-4-6-3-8(6)1-2-9(5-8)7(11)12/h6,10H,1-5H2,(H,11,12)
InChIKeyFNUNFCRRXVWUTN-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.37
Rot. Bonds1

About 2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid

2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid (PubChem CID 175711644) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid
PubChem CID175711644
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid
SMILESO=C(O)N1CCC2(CC2CO)C1
InChIInChI=1S/C8H13NO3/c10-4-6-3-8(6)1-2-9(5-8)7(11)12/h6,10H,1-5H2,(H,11,12)
InChIKeyFNUNFCRRXVWUTN-UHFFFAOYSA-N
XLogP0.37
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyethyl)-6-azaspiro[2.5]octane-6-carboxylic acid
CID 155024264
benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294909
spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid
CID 70434375
tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
CID 129408071
2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
CID 154311933
benzyl 2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
CID 130138481
(5-methyl-5-azaspiro[2.3]hexan-2-yl)methanol
CID 84647955
benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294914
benzyl 2-(chloromethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 130138285
8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine-2-carboxylic acid
CID 69177569
(6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol
CID 130708115
3,3-bis(1-fluoro-2-hydroxyethyl)pyrrolidine-1-carboxylic acid
CID 175167022

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid (CID 175711644) is 2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid is O=C(O)N1CCC2(CC2CO)C1.
What is the InChIKey of 2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid?
The InChIKey is FNUNFCRRXVWUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-4-6-3-8(6)1-2-9(5-8)7(11)12/h6,10H,1-5H2,(H,11,12).
What are the key properties of 2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid?
2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylic acid is sourced from PubChem (CID 175711644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).