methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate

C10H14N2O3 — CID 80599690

IUPACmethyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C1(C#N)CCC1
InChIInChI=1S/C10H14N2O3/c1-7(8(13)15-2)12-9(14)10(6-11)4-3-5-10/h7H,3-5H2,1-2H3,(H,12,14)
InChIKeyKFCLLJDIJUWRNR-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.36
Rot. Bonds3

About methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate

methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate (PubChem CID 80599690) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate
PubChem CID80599690
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)C1(C#N)CCC1
InChIInChI=1S/C10H14N2O3/c1-7(8(13)15-2)12-9(14)10(6-11)4-3-5-10/h7H,3-5H2,1-2H3,(H,12,14)
InChIKeyKFCLLJDIJUWRNR-UHFFFAOYSA-N
XLogP0.36
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[1-(methylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 61461956
methyl 2-[(1-aminocyclobutanecarbonyl)amino]propanoate
CID 81169291
N-butan-2-yl-1-cyanocyclobutane-1-carboxamide
CID 78994718
1-cyano-N-(1-cyclopentylethyl)cyclobutane-1-carboxamide
CID 78994521
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide
CID 115595323
methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate
CID 106828162
1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide
CID 80592453
1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 103820750
1-cyano-N-pentan-2-ylcyclopentane-1-carboxamide
CID 55025382
1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide
CID 103799399
1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide
CID 115636303
1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide
CID 79250293

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate (CID 80599690) is methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate is COC(=O)C(C)NC(=O)C1(C#N)CCC1.
What is the InChIKey of methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate?
The InChIKey is KFCLLJDIJUWRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(8(13)15-2)12-9(14)10(6-11)4-3-5-10/h7H,3-5H2,1-2H3,(H,12,14).
What are the key properties of methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate?
methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate has a molecular weight of 210.23 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate is sourced from PubChem (CID 80599690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).