(1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid

C11H12N2O5 — CID 98117591

IUPAC(1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid
SMILESNC(=O)[C@]12C(=O)NC(=O)[C@]1(C(=O)O)C21CCCC1
InChIInChI=1S/C11H12N2O5/c12-5(14)10-6(15)13-7(16)11(10,8(17)18)9(10)3-1-2-4-9/h1-4H2,(H2,12,14)(H,17,18)(H,13,15,16)/t10-,11+/m1/s1
InChIKeyPTDYRQXSLSDVQL-MNOVXSKESA-N
MW252.23 g/mol
LogP-1.24
Rot. Bonds2

About (1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid

(1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid (PubChem CID 98117591) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is (1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid
PubChem CID98117591
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name(1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid
SMILESNC(=O)[C@]12C(=O)NC(=O)[C@]1(C(=O)O)C21CCCC1
InChIInChI=1S/C11H12N2O5/c12-5(14)10-6(15)13-7(16)11(10,8(17)18)9(10)3-1-2-4-9/h1-4H2,(H2,12,14)(H,17,18)(H,13,15,16)/t10-,11+/m1/s1
InChIKeyPTDYRQXSLSDVQL-MNOVXSKESA-N
XLogP-1.24
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-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

7-oxoazepane-2,2-dicarboxamide
CID 135799851
1-hydroxycyclopentane-1-carboxamide
CID 12857769
2-oxo-3-phenylazepane-3-carboxamide
CID 14763630
1-aminocyclopentane-1-carboxylic acid
CID 2901
1-aminocyclopentane-1-carboxamide
CID 139066563
2-carbamoyl-1,3-dihydrobenzimidazole-2-carboxylic acid
CID 68790453
2-[1-(carboxymethyl)-2-oxocyclopentyl]acetic acid
CID 90921399
1-fluoro-2-oxocyclohexane-1-carboxylic acid
CID 19783079
1-aminocyclohenicosane-1-carboxylic acid
CID 101359672
1-aminocyclotridecane-1-carboxylic acid
CID 53441426
1-methyl-2-oxocycloheptane-1-carboxylic acid
CID 19704452
2-(2,2-dimethylpropoxycarbonyl)-1,2-dihydroxycyclohexane-1-carboxylic acid
CID 23321098

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid?
The IUPAC name of (1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid (CID 98117591) is (1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid.
What is the SMILES notation for (1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid?
The canonical SMILES for (1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid is NC(=O)[C@]12C(=O)NC(=O)[C@]1(C(=O)O)C21CCCC1.
What is the InChIKey of (1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid?
The InChIKey is PTDYRQXSLSDVQL-MNOVXSKESA-N. The full InChI is InChI=1S/C11H12N2O5/c12-5(14)10-6(15)13-7(16)11(10,8(17)18)9(10)3-1-2-4-9/h1-4H2,(H2,12,14)(H,17,18)(H,13,15,16)/t10-,11+/m1/s1.
What are the key properties of (1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid?
(1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of -1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-5-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1-carboxylic acid is sourced from PubChem (CID 98117591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).