propyl 2-amino-2-cyanoacetate

C6H10N2O2 — CID 139798964

IUPACpropyl 2-amino-2-cyanoacetate
SMILESCCCOC(=O)C(N)C#N
InChIInChI=1S/C6H10N2O2/c1-2-3-10-6(9)5(8)4-7/h5H,2-3,8H2,1H3
InChIKeyZARAHBLAZGIMKA-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.21
Rot. Bonds3

About propyl 2-amino-2-cyanoacetate

propyl 2-amino-2-cyanoacetate (PubChem CID 139798964) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is propyl 2-amino-2-cyanoacetate.

Molecular Properties

Compound Namepropyl 2-amino-2-cyanoacetate
PubChem CID139798964
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Namepropyl 2-amino-2-cyanoacetate
SMILESCCCOC(=O)C(N)C#N
InChIInChI=1S/C6H10N2O2/c1-2-3-10-6(9)5(8)4-7/h5H,2-3,8H2,1H3
InChIKeyZARAHBLAZGIMKA-UHFFFAOYSA-N
XLogP-0.21
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-amino-3-oxobutanoate
CID 174900765
propyl (2R)-2-amino-3-hydroxypropanoate
CID 55281348
dipropyl 2,3-diiodobutanedioate
CID 87640369
propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 131729419
propyl 7,7-dicyano-2-(2,2-dicyanoethyl)heptanoate
CID 175048206
propyl acetate;hydrate
CID 122690555
propyl (2S)-2-chloropropanoate
CID 40565872
dipropyl 2,3-dimethoxybutanedioate
CID 139989452
propyl (2R)-2-methylbutanoate
CID 86306230
propyl 2-amino-2-cyclohexylacetate
CID 61016884
propyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 57168627
propyl 2-bromo-2-fluoroacetate
CID 134352619

Frequently Asked Questions

What is the IUPAC name of propyl 2-amino-2-cyanoacetate?
The IUPAC name of propyl 2-amino-2-cyanoacetate (CID 139798964) is propyl 2-amino-2-cyanoacetate.
What is the SMILES notation for propyl 2-amino-2-cyanoacetate?
The canonical SMILES for propyl 2-amino-2-cyanoacetate is CCCOC(=O)C(N)C#N.
What is the InChIKey of propyl 2-amino-2-cyanoacetate?
The InChIKey is ZARAHBLAZGIMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-3-10-6(9)5(8)4-7/h5H,2-3,8H2,1H3.
What are the key properties of propyl 2-amino-2-cyanoacetate?
propyl 2-amino-2-cyanoacetate has a molecular weight of 142.16 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-amino-2-cyanoacetate is sourced from PubChem (CID 139798964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).