methyl 2-(aminomethyl)-3-cyanopropanoate

C6H10N2O2 — CID 158944496

IUPACmethyl 2-(aminomethyl)-3-cyanopropanoate
SMILESCOC(=O)C(CN)CC#N
InChIInChI=1S/C6H10N2O2/c1-10-6(9)5(4-8)2-3-7/h5H,2,4,8H2,1H3
InChIKeyJKQPLEPZCMLOSI-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.35
Rot. Bonds3

About methyl 2-(aminomethyl)-3-cyanopropanoate

methyl 2-(aminomethyl)-3-cyanopropanoate (PubChem CID 158944496) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-3-cyanopropanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-3-cyanopropanoate
PubChem CID158944496
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Namemethyl 2-(aminomethyl)-3-cyanopropanoate
SMILESCOC(=O)C(CN)CC#N
InChIInChI=1S/C6H10N2O2/c1-10-6(9)5(4-8)2-3-7/h5H,2,4,8H2,1H3
InChIKeyJKQPLEPZCMLOSI-UHFFFAOYSA-N
XLogP-0.35
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 ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyanomethyl)butanoate
CID 15312095
methyl (2S)-3-cyano-2-methylpropanoate
CID 92939013
methyl (2S)-2-amino-3-cyanopropanoate;hydrochloride
CID 24775134
methyl 3-cyano-2-methoxypropanoate
CID 558532
methyl 2-(aminomethyl)pentanoate
CID 65220226
[(2R)-1-amino-3-cyanopropan-2-yl] acetate
CID 130737264
methyl (2S,3R)-2,3-diacetyloxy-4-cyanobutanoate
CID 11831626
methyl 2-cyano-3-methoxypropanoate
CID 88578090
methyl 2,2-dicyanoacetate
CID 10931428
methyl 4-cyano-3-methylbutanoate
CID 83479099
tert-butyl-[(2S)-3-cyano-1-methoxy-1-oxopropan-2-yl]carbamic acid
CID 91884961
methyl 2-(1-cyanobutan-2-ylamino)-3-methylbutanoate
CID 43452264

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-3-cyanopropanoate?
The IUPAC name of methyl 2-(aminomethyl)-3-cyanopropanoate (CID 158944496) is methyl 2-(aminomethyl)-3-cyanopropanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-3-cyanopropanoate?
The canonical SMILES for methyl 2-(aminomethyl)-3-cyanopropanoate is COC(=O)C(CN)CC#N.
What is the InChIKey of methyl 2-(aminomethyl)-3-cyanopropanoate?
The InChIKey is JKQPLEPZCMLOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-10-6(9)5(4-8)2-3-7/h5H,2,4,8H2,1H3.
What are the key properties of methyl 2-(aminomethyl)-3-cyanopropanoate?
methyl 2-(aminomethyl)-3-cyanopropanoate has a molecular weight of 142.16 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-3-cyanopropanoate is sourced from PubChem (CID 158944496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).