2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid

C9H15N3O3 — CID 151434915

IUPAC2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid
SMILESO=C1CNCC2(CCN(C(=O)O)CC2)N1
InChIInChI=1S/C9H15N3O3/c13-7-5-10-6-9(11-7)1-3-12(4-2-9)8(14)15/h10H,1-6H2,(H,11,13)(H,14,15)
InChIKeyPDHGFAAORSROLA-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.78
Rot. Bonds

About 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid

2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid (PubChem CID 151434915) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid
PubChem CID151434915
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid
SMILESO=C1CNCC2(CCN(C(=O)O)CC2)N1
InChIInChI=1S/C9H15N3O3/c13-7-5-10-6-9(11-7)1-3-12(4-2-9)8(14)15/h10H,1-6H2,(H,11,13)(H,14,15)
InChIKeyPDHGFAAORSROLA-UHFFFAOYSA-N
XLogP-0.78
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid
CID 68886117
2,7,10-triazaspiro[5.6]dodecan-8-one
CID 162422719
2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride
CID 162422718
9-oxo-7-oxa-3,10-diazaspiro[5.6]dodecane-3-carboxylic acid
CID 67293081
3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 66701088
(4S)-7-[(2S)-2-aminopropanoyl]-1,7-diazaspiro[3.4]octan-2-one
CID 97175419
8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493677
3-oxo-2,8-diazaspiro[4.5]decane-4,8-dicarboxylic acid
CID 90908477
(4S)-7-(2-chloroacetyl)-1,7-diazaspiro[3.4]octan-2-one
CID 97166637
1-oxo-2,8-diazaspiro[4.5]dec-2-ene-3,8-dicarboxylic acid
CID 150219126
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
6,11,18,23-tetraoxo-1,4,7,10,13,16,19,22-octazacyclotetracosane-1,4,13,16-tetracarboxylic acid
CID 100960085

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid?
The IUPAC name of 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid (CID 151434915) is 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid.
What is the SMILES notation for 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid?
The canonical SMILES for 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid is O=C1CNCC2(CCN(C(=O)O)CC2)N1.
What is the InChIKey of 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid?
The InChIKey is PDHGFAAORSROLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c13-7-5-10-6-9(11-7)1-3-12(4-2-9)8(14)15/h10H,1-6H2,(H,11,13)(H,14,15).
What are the key properties of 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid?
2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid has a molecular weight of 213.24 g/mol, XLogP of -0.78, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylic acid is sourced from PubChem (CID 151434915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).