ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate

C10H16N2O3 — CID 55208240

IUPACethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C(C)(C)C#N
InChIInChI=1S/C10H16N2O3/c1-4-15-8(13)5-6-12-9(14)10(2,3)7-11/h4-6H2,1-3H3,(H,12,14)
InChIKeyKQGUZWNCEDLNCZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.61
Rot. Bonds5

About ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate

ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate (PubChem CID 55208240) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate
PubChem CID55208240
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)C(C)(C)C#N
InChIInChI=1S/C10H16N2O3/c1-4-15-8(13)5-6-12-9(14)10(2,3)7-11/h4-6H2,1-3H3,(H,12,14)
InChIKeyKQGUZWNCEDLNCZ-UHFFFAOYSA-N
XLogP0.61
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate
CID 65267148
N-[2-(carbamoylamino)ethyl]-2-cyano-2-methylpropanamide
CID 78993885
ethyl 4-[(2-cyano-2-ethylbutanoyl)amino]butanoate
CID 64576196
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
CID 61059693
ethyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734875
2-cyano-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 61061078
ethyl 3-[(3-amino-2-methylpropanoyl)amino]propanoate
CID 62668583
ethyl 3-chloro-3-oxopropanoate;ethyl 4-cyano-4-methyl-3-oxopentanoate;2-methylpropanenitrile
CID 159195678
ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate
CID 61218283
ethyl 3-[[(E)-2,3,3-trimethylbut-1-enyl]carbamoylamino]propanoate
CID 108915240
2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide
CID 107299932

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate?
The IUPAC name of ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate (CID 55208240) is ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate is CCOC(=O)CCNC(=O)C(C)(C)C#N.
What is the InChIKey of ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate?
The InChIKey is KQGUZWNCEDLNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-15-8(13)5-6-12-9(14)10(2,3)7-11/h4-6H2,1-3H3,(H,12,14).
What are the key properties of ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate?
ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate has a molecular weight of 212.25 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-cyano-2-methylpropanoyl)amino]propanoate is sourced from PubChem (CID 55208240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).