ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate

C11H16N2O3 — CID 59865134

IUPACethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate
SMILESCCOC(=O)C(C#N)NC(=O)C1CCCC1
InChIInChI=1S/C11H16N2O3/c1-2-16-11(15)9(7-12)13-10(14)8-5-3-4-6-8/h8-9H,2-6H2,1H3,(H,13,14)
InChIKeySVDZMUNRRNOTAF-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.75
Rot. Bonds4

About ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate

ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate (PubChem CID 59865134) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate
PubChem CID59865134
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate
SMILESCCOC(=O)C(C#N)NC(=O)C1CCCC1
InChIInChI=1S/C11H16N2O3/c1-2-16-11(15)9(7-12)13-10(14)8-5-3-4-6-8/h8-9H,2-6H2,1H3,(H,13,14)
InChIKeySVDZMUNRRNOTAF-UHFFFAOYSA-N
XLogP0.75
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopropanecarbonylamino)propanoate
CID 58636709
ethyl 2-cyano-2-(hydroxyamino)acetate;uranium
CID 170168118
ethyl (2S)-2-[[(1R,3S)-3-[[(2S)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]propanoate
CID 52517363
N-[cyano(cyclopropyl)methyl]cyclopentanecarboxamide
CID 63821048
N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 144825478
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
tridecyl (2S)-2-(cyclopentanecarbonylamino)propanoate
CID 20836982
pentyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 20836661
N-(1-aminobutan-2-yl)cyclooctanecarboxamide
CID 65020917
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate?
The IUPAC name of ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate (CID 59865134) is ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate.
What is the SMILES notation for ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate?
The canonical SMILES for ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate is CCOC(=O)C(C#N)NC(=O)C1CCCC1.
What is the InChIKey of ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate?
The InChIKey is SVDZMUNRRNOTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-16-11(15)9(7-12)13-10(14)8-5-3-4-6-8/h8-9H,2-6H2,1H3,(H,13,14).
What are the key properties of ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate?
ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate has a molecular weight of 224.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(cyclopentanecarbonylamino)acetate is sourced from PubChem (CID 59865134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).