(2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide

C15H23N3O3 — CID 167202368

IUPAC(2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide
SMILESC=CC(=O)N1CC[C@]2(CCN([C@H](C(N)=O)C(C)C)C2=O)C1
InChIInChI=1S/C15H23N3O3/c1-4-11(19)17-7-5-15(9-17)6-8-18(14(15)21)12(10(2)3)13(16)20/h4,10,12H,1,5-9H2,2-3H3,(H2,16,20)/t12-,15-/m0/s1
InChIKeyVVASTBYNUMKWNZ-WFASDCNBSA-N
MW293.37 g/mol
LogP0.13
Rot. Bonds4

About (2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide

(2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide (PubChem CID 167202368) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide
PubChem CID167202368
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide
SMILESC=CC(=O)N1CC[C@]2(CCN([C@H](C(N)=O)C(C)C)C2=O)C1
InChIInChI=1S/C15H23N3O3/c1-4-11(19)17-7-5-15(9-17)6-8-18(14(15)21)12(10(2)3)13(16)20/h4,10,12H,1,5-9H2,2-3H3,(H2,16,20)/t12-,15-/m0/s1
InChIKeyVVASTBYNUMKWNZ-WFASDCNBSA-N
XLogP0.13
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid
CID 154942805
tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
CID 154944987
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N,1-dimethyl-4-prop-2-enoyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115830
(3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide
CID 134244857
2-[(3S)-2-methyl-4-oxopentan-3-yl]-7-[(2R)-1-tritylaziridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 174092322
1-[(3S)-3-amino-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 144855598
(2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide
CID 139382772
1-(2,6-diazaspiro[3.4]octan-6-yl)prop-2-en-1-one;ethane
CID 176701757
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-2-prop-2-enoyl-2,5-diazaspiro[3.4]octane-5-carboxamide
CID 169183229
1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane
CID 167457745
7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 154959785
3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide
CID 114176608

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide?
The IUPAC name of (2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide (CID 167202368) is (2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide.
What is the SMILES notation for (2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide?
The canonical SMILES for (2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide is C=CC(=O)N1CC[C@]2(CCN([C@H](C(N)=O)C(C)C)C2=O)C1.
What is the InChIKey of (2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide?
The InChIKey is VVASTBYNUMKWNZ-WFASDCNBSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-11(19)17-7-5-15(9-17)6-8-18(14(15)21)12(10(2)3)13(16)20/h4,10,12H,1,5-9H2,2-3H3,(H2,16,20)/t12-,15-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide?
(2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide has a molecular weight of 293.37 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide is sourced from PubChem (CID 167202368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).