(5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

C15H26N4O4 — CID 97360054

IUPAC(5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)NC(C)C)C[C@@]2(CNC(=O)C2)C1
InChIInChI=1S/C15H26N4O4/c1-11(2)17-14(22)19-5-4-18(13(21)7-23-3)9-15(10-19)6-12(20)16-8-15/h11H,4-10H2,1-3H3,(H,16,20)(H,17,22)/t15-/m0/s1
InChIKeyKXENAWNFRSLQDF-HNNXBMFYSA-N
MW326.40 g/mol
LogP-0.60
Rot. Bonds3

About (5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide

(5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (PubChem CID 97360054) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is (5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.

Molecular Properties

Compound Name(5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
PubChem CID97360054
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Name(5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)NC(C)C)C[C@@]2(CNC(=O)C2)C1
InChIInChI=1S/C15H26N4O4/c1-11(2)17-14(22)19-5-4-18(13(21)7-23-3)9-15(10-19)6-12(20)16-8-15/h11H,4-10H2,1-3H3,(H,16,20)(H,17,22)/t15-/m0/s1
InChIKeyKXENAWNFRSLQDF-HNNXBMFYSA-N
XLogP-0.60
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The IUPAC name of (5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide (CID 97360054) is (5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide.
What is the SMILES notation for (5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The canonical SMILES for (5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is COCC(=O)N1CCN(C(=O)NC(C)C)C[C@@]2(CNC(=O)C2)C1.
What is the InChIKey of (5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
The InChIKey is KXENAWNFRSLQDF-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-11(2)17-14(22)19-5-4-18(13(21)7-23-3)9-15(10-19)6-12(20)16-8-15/h11H,4-10H2,1-3H3,(H,16,20)(H,17,22)/t15-/m0/s1.
What are the key properties of (5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide?
(5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide has a molecular weight of 326.40 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(2-methoxyacetyl)-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide is sourced from PubChem (CID 97360054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).