(5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid

C12H20N2O3 — CID 134859698

IUPAC(5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid
SMILESCN1C(=O)[C@]2(CCCC[C@H]1C(=O)O)CCCN2
InChIInChI=1S/C12H20N2O3/c1-14-9(10(15)16)5-2-3-6-12(11(14)17)7-4-8-13-12/h9,13H,2-8H2,1H3,(H,15,16)/t9-,12-/m0/s1
InChIKeyZELTVFLAQZVISU-CABZTGNLSA-N
MW240.30 g/mol
LogP0.59
Rot. Bonds1

About (5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid

(5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid (PubChem CID 134859698) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid.

Molecular Properties

Compound Name(5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid
PubChem CID134859698
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid
SMILESCN1C(=O)[C@]2(CCCC[C@H]1C(=O)O)CCCN2
InChIInChI=1S/C12H20N2O3/c1-14-9(10(15)16)5-2-3-6-12(11(14)17)7-4-8-13-12/h9,13H,2-8H2,1H3,(H,15,16)/t9-,12-/m0/s1
InChIKeyZELTVFLAQZVISU-CABZTGNLSA-N
XLogP0.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)-2-methylpyrrolidine-2-carbonyl]amino]hexanoic acid
CID 127036032
(3s,6s,10As)-6-amino-5-oxo-decahydro-pyrrolo[1,2-a]azocine-3-carboxylic acid
CID 58632036
(3S)-2-[(2S)-2-amino-4-fluoro-4-methylpentanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 163554512
(6S,11aS)-6-amino-5-oxo-2,3,6,7,8,9,10,11-octahydro-1H-pyrrolo[1,2-a]azonine-11a-carboxylic acid
CID 134842614
(2S)-2-[[(6S,10aS)-6-amino-5-oxo-1,2,3,6,7,8,9,10-octahydropyrrolo[1,2-a]azocine-10a-carbonyl]amino]pentanedioic acid
CID 11612487
N-(1-carboxy-5-methylhexyl)-L-alanyl-L-proline
CID 13389793
1-(2-Amino-1-oxopropyl)octahydrocyclopenta[b]pyrrole-2-caroxylic Acid
CID 13688743
(2S)-1-[(2S)-2-[[(1S)-1-carboxy-5-piperidin-4-ylpentyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 14674572
(2S)-1-[(2S)-2-[[(1S)-1-carboxy-6-piperidin-4-ylhexyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 15927647
(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 18337684
(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid
CID 18337685
1-(2-Aminoethyl)-4-pentylpyrrolidine-2-carboxylic acid
CID 18446314

Frequently Asked Questions

What is the IUPAC name of (5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid?
The IUPAC name of (5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid (CID 134859698) is (5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid.
What is the SMILES notation for (5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid?
The canonical SMILES for (5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid is CN1C(=O)[C@]2(CCCC[C@H]1C(=O)O)CCCN2.
What is the InChIKey of (5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid?
The InChIKey is ZELTVFLAQZVISU-CABZTGNLSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-14-9(10(15)16)5-2-3-6-12(11(14)17)7-4-8-13-12/h9,13H,2-8H2,1H3,(H,15,16)/t9-,12-/m0/s1.
What are the key properties of (5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid?
(5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-11-methyl-12-oxo-1,11-diazaspiro[4.7]dodecane-10-carboxylic acid is sourced from PubChem (CID 134859698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).