ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine

C15H30N4O4 — CID 144678652

IUPACethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine
SMILESCC.CC(O)C(C=O)NC(=O)CN1CC2(CCCN2)C1=O.CN
InChIInChI=1S/C12H19N3O4.C2H6.CH5N/c1-8(17)9(6-16)14-10(18)5-15-7-12(11(15)19)3-2-4-13-12;2*1-2/h6,8-9,13,17H,2-5,7H2,1H3,(H,14,18);1-2H3;2H2,1H3
InChIKeyRVUJGQXDKSWBJQ-UHFFFAOYSA-N
MW330.43 g/mol
LogP-1.38
Rot. Bonds5

About ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine

ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine (PubChem CID 144678652) has the molecular formula C15H30N4O4 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine.

Molecular Properties

Compound Nameethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine
PubChem CID144678652
Molecular FormulaC15H30N4O4
Molecular Weight330.43 g/mol
Exact Mass330.23
IUPAC Nameethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine
SMILESCC.CC(O)C(C=O)NC(=O)CN1CC2(CCCN2)C1=O.CN
InChIInChI=1S/C12H19N3O4.C2H6.CH5N/c1-8(17)9(6-16)14-10(18)5-15-7-12(11(15)19)3-2-4-13-12;2*1-2/h6,8-9,13,17H,2-5,7H2,1H3,(H,14,18);1-2H3;2H2,1H3
InChIKeyRVUJGQXDKSWBJQ-UHFFFAOYSA-N
XLogP-1.38
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[2-[(2-hydroxy-1-pyrimidin-2-ylpropyl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]acetamide;N-(2-hydroxy-1-pyrimidin-2-ylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;2,2,2-trifluoroacetaldehyde
CID 161155791
[(3S)-4-amino-4-oxo-3-[[2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]butan-2-yl] acetate;benzyl 2-[2-[[(2S)-3-acetyloxy-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;2-(3-oxo-5-phenylmethoxycarbonyl-2,5-diazaspiro[3.4]octan-2-yl)acetic acid
CID 162096013
3-hydroxy-N-(2-methylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide
CID 123182426
2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one
CID 58546685
methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate
CID 73013471
2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one
CID 121304107
(2S)-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-2-sulfanylpropanamide
CID 163631503
2-(3-methylidene-2,5-diazaspiro[3.4]octan-2-yl)acetamide
CID 139379424
10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one
CID 146175252
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid
CID 119349083
tert-butyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 134486910
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 4879409

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine?
The IUPAC name of ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine (CID 144678652) is ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine.
What is the SMILES notation for ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine?
The canonical SMILES for ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine is CC.CC(O)C(C=O)NC(=O)CN1CC2(CCCN2)C1=O.CN.
What is the InChIKey of ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine?
The InChIKey is RVUJGQXDKSWBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4.C2H6.CH5N/c1-8(17)9(6-16)14-10(18)5-15-7-12(11(15)19)3-2-4-13-12;2*1-2/h6,8-9,13,17H,2-5,7H2,1H3,(H,14,18);1-2H3;2H2,1H3.
What are the key properties of ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine?
ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine has a molecular weight of 330.43 g/mol, XLogP of -1.38, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine is sourced from PubChem (CID 144678652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).