methyl 2-[1-cyanopropyl(methyl)amino]acetate

C8H14N2O2 — CID 62026696

IUPACmethyl 2-[1-cyanopropyl(methyl)amino]acetate
SMILESCCC(C#N)N(C)CC(=O)OC
InChIInChI=1S/C8H14N2O2/c1-4-7(5-9)10(2)6-8(11)12-3/h7H,4,6H2,1-3H3
InChIKeyZDRLVYRUFOKFMR-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.39
Rot. Bonds4

About methyl 2-[1-cyanopropyl(methyl)amino]acetate

methyl 2-[1-cyanopropyl(methyl)amino]acetate (PubChem CID 62026696) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 2-[1-cyanopropyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-cyanopropyl(methyl)amino]acetate
PubChem CID62026696
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Namemethyl 2-[1-cyanopropyl(methyl)amino]acetate
SMILESCCC(C#N)N(C)CC(=O)OC
InChIInChI=1S/C8H14N2O2/c1-4-7(5-9)10(2)6-8(11)12-3/h7H,4,6H2,1-3H3
InChIKeyZDRLVYRUFOKFMR-UHFFFAOYSA-N
XLogP0.39
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-cyanopropyl(propyl)amino]acetate
CID 62012139
methyl 2-[[(3R)-hexan-3-yl]-methylamino]acetate
CID 90862212
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60721008
methyl 3-[1-cyanobutan-2-yl(methyl)amino]propanoate
CID 62013597
methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate
CID 115688695
methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate
CID 62026091
methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953627
methyl 2-[2-cyanopropyl(propyl)amino]acetate
CID 62013506
methyl 2-[3-methylpentanoyl(propan-2-yl)amino]acetate
CID 114875753
methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
CID 60677105
methyl 4-cyanohexanoate
CID 13096120
methyl 2-[1-cyanopropyl(methyl)amino]benzoate
CID 62027309

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-cyanopropyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[1-cyanopropyl(methyl)amino]acetate (CID 62026696) is methyl 2-[1-cyanopropyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[1-cyanopropyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[1-cyanopropyl(methyl)amino]acetate is CCC(C#N)N(C)CC(=O)OC.
What is the InChIKey of methyl 2-[1-cyanopropyl(methyl)amino]acetate?
The InChIKey is ZDRLVYRUFOKFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-7(5-9)10(2)6-8(11)12-3/h7H,4,6H2,1-3H3.
What are the key properties of methyl 2-[1-cyanopropyl(methyl)amino]acetate?
methyl 2-[1-cyanopropyl(methyl)amino]acetate has a molecular weight of 170.21 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-cyanopropyl(methyl)amino]acetate is sourced from PubChem (CID 62026696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).