methyl 1-acetyldiazinane-3-carboxylate

C8H14N2O3 — CID 22955163

IUPACmethyl 1-acetyldiazinane-3-carboxylate
SMILESCOC(=O)C1CCCN(C(C)=O)N1
InChIInChI=1S/C8H14N2O3/c1-6(11)10-5-3-4-7(9-10)8(12)13-2/h7,9H,3-5H2,1-2H3
InChIKeyFWNHHMXCQSZBQF-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.33
Rot. Bonds1

About methyl 1-acetyldiazinane-3-carboxylate

methyl 1-acetyldiazinane-3-carboxylate (PubChem CID 22955163) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 1-acetyldiazinane-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetyldiazinane-3-carboxylate
PubChem CID22955163
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 1-acetyldiazinane-3-carboxylate
SMILESCOC(=O)C1CCCN(C(C)=O)N1
InChIInChI=1S/C8H14N2O3/c1-6(11)10-5-3-4-7(9-10)8(12)13-2/h7,9H,3-5H2,1-2H3
InChIKeyFWNHHMXCQSZBQF-UHFFFAOYSA-N
XLogP-0.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-acetyldiazinane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trichloroethyl 1-acetyldiazinane-3-carboxylate
CID 123225420
methyl 1-aminodiazinane-3-carboxylate
CID 175753263
methyl (3S)-1-[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 163607557
methyl 1-(2-hydroperoxyethyl)diazinane-3-carboxylate
CID 20633742
methyl (3S)-1-[(2S)-2-[[(2S)-2-(ethoxycarbonylamino)-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 130197663
methyl 1-[(2S)-2-amino-3-(3-phenylmethoxyphenyl)propanoyl]diazinane-3-carboxylate
CID 135353132
2-methylpropyl 1-(2-methylpropanoyl)diazinane-3-carboxylate
CID 123584168
methyl 1-[2-[[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-propan-2-ylpentanoyl]amino]propanoyl]diazinane-3-carboxylate
CID 123693599
(2S)-1-acetyl-2-methoxycarbonylpiperidine-3-carboxylic acid
CID 58298372
methyl 6-methylpiperidine-2-carboxylate
CID 13205605
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
methyl (3R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate
CID 10583633

Frequently Asked Questions

What is the IUPAC name of methyl 1-acetyldiazinane-3-carboxylate?
The IUPAC name of methyl 1-acetyldiazinane-3-carboxylate (CID 22955163) is methyl 1-acetyldiazinane-3-carboxylate.
What is the SMILES notation for methyl 1-acetyldiazinane-3-carboxylate?
The canonical SMILES for methyl 1-acetyldiazinane-3-carboxylate is COC(=O)C1CCCN(C(C)=O)N1.
What is the InChIKey of methyl 1-acetyldiazinane-3-carboxylate?
The InChIKey is FWNHHMXCQSZBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)10-5-3-4-7(9-10)8(12)13-2/h7,9H,3-5H2,1-2H3.
What are the key properties of methyl 1-acetyldiazinane-3-carboxylate?
methyl 1-acetyldiazinane-3-carboxylate has a molecular weight of 186.21 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetyldiazinane-3-carboxylate is sourced from PubChem (CID 22955163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).