2,9-diazaspiro[5.5]undecane-9-carboxylic acid

C10H18N2O2 — CID 67547274

IUPAC2,9-diazaspiro[5.5]undecane-9-carboxylic acid
SMILESO=C(O)N1CCC2(CCCNC2)CC1
InChIInChI=1S/C10H18N2O2/c13-9(14)12-6-3-10(4-7-12)2-1-5-11-8-10/h11H,1-8H2,(H,13,14)
InChIKeyVJPFJFKDPCGKCS-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.13
Rot. Bonds

About 2,9-diazaspiro[5.5]undecane-9-carboxylic acid

2,9-diazaspiro[5.5]undecane-9-carboxylic acid (PubChem CID 67547274) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2,9-diazaspiro[5.5]undecane-9-carboxylic acid.

Molecular Properties

Compound Name2,9-diazaspiro[5.5]undecane-9-carboxylic acid
PubChem CID67547274
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2,9-diazaspiro[5.5]undecane-9-carboxylic acid
SMILESO=C(O)N1CCC2(CCCNC2)CC1
InChIInChI=1S/C10H18N2O2/c13-9(14)12-6-3-10(4-7-12)2-1-5-11-8-10/h11H,1-8H2,(H,13,14)
InChIKeyVJPFJFKDPCGKCS-UHFFFAOYSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 73013924
tert-Butyl 2,9-diazaspiro[5.5]undecane-2-carboxylate
CID 23435803
tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate
CID 46912008
Tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride
CID 71464197
4-[(4-Fluoropiperidin-4-yl)methyl]piperazine-1-carboxylic acid
CID 174172104
4-Methylpiperidinium 4-Methylpyridine-N-carboxylate Monohydrate
CID 139056878
Piperidine;piperidine-1-carboxylic acid
CID 15122514
2,8-Diazaspiro[4.5]decane-2-carboxylic acid
CID 17973623
4-(3-Aminopropyl)piperidine-1-carboxylic acid
CID 18327327
2,8-Diazaspiro[4.5]decane-8-carboxylic acid
CID 21109162
4-Piperidin-4-ylpiperidine-1-carboxylic acid
CID 54077735
4-(3-Piperidin-4-ylpropyl)piperidine-1-carboxylic acid
CID 54500931

Frequently Asked Questions

What is the IUPAC name of 2,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The IUPAC name of 2,9-diazaspiro[5.5]undecane-9-carboxylic acid (CID 67547274) is 2,9-diazaspiro[5.5]undecane-9-carboxylic acid.
What is the SMILES notation for 2,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The canonical SMILES for 2,9-diazaspiro[5.5]undecane-9-carboxylic acid is O=C(O)N1CCC2(CCCNC2)CC1.
What is the InChIKey of 2,9-diazaspiro[5.5]undecane-9-carboxylic acid?
The InChIKey is VJPFJFKDPCGKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-9(14)12-6-3-10(4-7-12)2-1-5-11-8-10/h11H,1-8H2,(H,13,14).
What are the key properties of 2,9-diazaspiro[5.5]undecane-9-carboxylic acid?
2,9-diazaspiro[5.5]undecane-9-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazaspiro[5.5]undecane-9-carboxylic acid is sourced from PubChem (CID 67547274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).