2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate

C13H24N2O3 — CID 123584168

IUPAC2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate
SMILESCC(C)COC(=O)C1CCCN(C(=O)C(C)C)N1
InChIInChI=1S/C13H24N2O3/c1-9(2)8-18-13(17)11-6-5-7-15(14-11)12(16)10(3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyIYTXUVKMGZXTRC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.34
Rot. Bonds4

About 2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate

2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate (PubChem CID 123584168) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate
PubChem CID123584168
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate
SMILESCC(C)COC(=O)C1CCCN(C(=O)C(C)C)N1
InChIInChI=1S/C13H24N2O3/c1-9(2)8-18-13(17)11-6-5-7-15(14-11)12(16)10(3)4/h9-11,14H,5-8H2,1-4H3
InChIKeyIYTXUVKMGZXTRC-UHFFFAOYSA-N
XLogP1.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 1-[2-[(2-amino-3-methylbutanoyl)amino]propanoyl]diazinane-3-carboxylate
CID 123165659
2,2,2-trichloroethyl (3S)-1-[(2S)-2-(methylamino)propanoyl]diazinane-3-carboxylate
CID 130196086
ethyl (3S)-1-[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 134185293
2,2,2-trichloroethyl 1-acetyldiazinane-3-carboxylate
CID 123225420
2,2,2-trichloroethyl 1-[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 122448940
2,2,2-trichloroethyl (3S)-1-[(2S)-2-[[(2S)-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 118175776
2,2,2-trichloroethyl (3S)-1-[2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]-3-methoxypropanoyl]diazinane-3-carboxylate
CID 118175724
tetrakis(2-methylpropyl) cyclohexane-1,2,4,5-tetracarboxylate
CID 23444116
methyl (3S)-1-[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 163607557
(2,2-dichloro-2-iodoethyl) 1-[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]diazinane-3-carboxylate
CID 163759901
methyl (3S)-1-[(2S)-2-[[(2S)-2-(ethoxycarbonylamino)-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 130197663
2,2,2-trichloroethyl 1-[2-(2-propan-2-ylpentanoylamino)propanoyl]diazinane-3-carboxylate
CID 123712065

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate?
The IUPAC name of 2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate (CID 123584168) is 2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate?
The canonical SMILES for 2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate is CC(C)COC(=O)C1CCCN(C(=O)C(C)C)N1.
What is the InChIKey of 2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate?
The InChIKey is IYTXUVKMGZXTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)8-18-13(17)11-6-5-7-15(14-11)12(16)10(3)4/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate?
2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate is sourced from PubChem (CID 123584168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).