methyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate

C14H25N3O3 — CID 3234863

IUPACmethyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)N1CCC[C@@]2(CCN(C(=O)NC(C)C)C2)C1
InChIInChI=1S/C14H25N3O3/c1-11(2)15-12(18)16-8-6-14(9-16)5-4-7-17(10-14)13(19)20-3/h11H,4-10H2,1-3H3,(H,15,18)/t14-/m0/s1
InChIKeyBTOUQIUGRGVIOM-AWEZNQCLSA-N
MW283.37 g/mol
LogP1.66
Rot. Bonds1

About methyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate

methyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 3234863) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID3234863
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Namemethyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)N1CCC[C@@]2(CCN(C(=O)NC(C)C)C2)C1
InChIInChI=1S/C14H25N3O3/c1-11(2)15-12(18)16-8-6-14(9-16)5-4-7-17(10-14)13(19)20-3/h11H,4-10H2,1-3H3,(H,15,18)/t14-/m0/s1
InChIKeyBTOUQIUGRGVIOM-AWEZNQCLSA-N
XLogP1.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of methyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 3234863) is methyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for methyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for methyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate is COC(=O)N1CCC[C@@]2(CCN(C(=O)NC(C)C)C2)C1.
What is the InChIKey of methyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is BTOUQIUGRGVIOM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-11(2)15-12(18)16-8-6-14(9-16)5-4-7-17(10-14)13(19)20-3/h11H,4-10H2,1-3H3,(H,15,18)/t14-/m0/s1.
What are the key properties of methyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate?
methyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-2-(propan-2-ylcarbamoyl)-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 3234863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).