8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide

C13H23N5O3 — CID 134788417

IUPAC8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide
SMILESCC(C)NC(=O)N1CNC(=O)C12CCN(C(=O)CN)CC2
InChIInChI=1S/C13H23N5O3/c1-9(2)16-12(21)18-8-15-11(20)13(18)3-5-17(6-4-13)10(19)7-14/h9H,3-8,14H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyURGROVKYXOXCMP-UHFFFAOYSA-N
MW297.36 g/mol
LogP-1.19
Rot. Bonds2

About 8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide

8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide (PubChem CID 134788417) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide.

Molecular Properties

Compound Name8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide
PubChem CID134788417
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide
SMILESCC(C)NC(=O)N1CNC(=O)C12CCN(C(=O)CN)CC2
InChIInChI=1S/C13H23N5O3/c1-9(2)16-12(21)18-8-15-11(20)13(18)3-5-17(6-4-13)10(19)7-14/h9H,3-8,14H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyURGROVKYXOXCMP-UHFFFAOYSA-N
XLogP-1.19
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide?
The IUPAC name of 8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide (CID 134788417) is 8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide.
What is the SMILES notation for 8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide?
The canonical SMILES for 8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide is CC(C)NC(=O)N1CNC(=O)C12CCN(C(=O)CN)CC2.
What is the InChIKey of 8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide?
The InChIKey is URGROVKYXOXCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3/c1-9(2)16-12(21)18-8-15-11(20)13(18)3-5-17(6-4-13)10(19)7-14/h9H,3-8,14H2,1-2H3,(H,15,20)(H,16,21).
What are the key properties of 8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide?
8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoacetyl)-4-oxo-N-propan-2-yl-1,3,8-triazaspiro[4.5]decane-1-carboxamide is sourced from PubChem (CID 134788417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).