6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride

C10H18ClNO2 — CID 171314814

IUPAC6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride
SMILESCNC1CCC2(CC1)CC2C(=O)O.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-11-7-2-4-10(5-3-7)6-8(10)9(12)13;/h7-8,11H,2-6H2,1H3,(H,12,13);1H
InChIKeyHBRJXRJWIUCMLL-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.66
Rot. Bonds2

About 6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride

6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride (PubChem CID 171314814) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride
PubChem CID171314814
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride
SMILESCNC1CCC2(CC1)CC2C(=O)O.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-11-7-2-4-10(5-3-7)6-8(10)9(12)13;/h7-8,11H,2-6H2,1H3,(H,12,13);1H
InChIKeyHBRJXRJWIUCMLL-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(methylamino)spiro[2.5]octane-2-carboxylic acid
CID 129319663
6-aminospiro[2.5]octane-2-carboxylic acid
CID 84653499
(2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid
CID 98041240
(2R)-spiro[2.5]octane-2-carboxylic acid
CID 10419388
6-azaspiro[2.5]octane-2-carboxylic acid
CID 51342230
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
6-oxospiro[2.5]octane-2-carboxylic acid
CID 84653004
6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 59395230
6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid
CID 175702388
6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410
6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid
CID 165466142
(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 174002395

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride?
The IUPAC name of 6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride (CID 171314814) is 6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride?
The canonical SMILES for 6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride is CNC1CCC2(CC1)CC2C(=O)O.Cl.
What is the InChIKey of 6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride?
The InChIKey is HBRJXRJWIUCMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c1-11-7-2-4-10(5-3-7)6-8(10)9(12)13;/h7-8,11H,2-6H2,1H3,(H,12,13);1H.
What are the key properties of 6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride?
6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 171314814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).