(5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

C13H23N3O2 — CID 97125831

IUPAC(5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)(C)NC(=O)N1CC[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C13H23N3O2/c1-12(2,3)15-11(18)16-8-6-13(9-16)5-4-7-14-10(13)17/h4-9H2,1-3H3,(H,14,17)(H,15,18)/t13-/m0/s1
InChIKeyNJEQZYQJHFDPKE-ZDUSSCGKSA-N
MW253.35 g/mol
LogP1.10
Rot. Bonds

About (5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

(5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 97125831) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
PubChem CID97125831
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)(C)NC(=O)N1CC[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C13H23N3O2/c1-12(2,3)15-11(18)16-8-6-13(9-16)5-4-7-14-10(13)17/h4-9H2,1-3H3,(H,14,17)(H,15,18)/t13-/m0/s1
InChIKeyNJEQZYQJHFDPKE-ZDUSSCGKSA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 97125831) is (5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is CC(C)(C)NC(=O)N1CC[C@@]2(CCCNC2=O)C1.
What is the InChIKey of (5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is NJEQZYQJHFDPKE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-12(2,3)15-11(18)16-8-6-13(9-16)5-4-7-14-10(13)17/h4-9H2,1-3H3,(H,14,17)(H,15,18)/t13-/m0/s1.
What are the key properties of (5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
(5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-tert-butyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 97125831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).