methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate

C10H18N2O2 — CID 62026091

IUPACmethyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(CC(C)C#N)C(C)C
InChIInChI=1S/C10H18N2O2/c1-8(2)12(6-9(3)5-11)7-10(13)14-4/h8-9H,6-7H2,1-4H3
InChIKeyUXHQWLJHKADFME-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.03
Rot. Bonds5

About methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate

methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate (PubChem CID 62026091) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate
PubChem CID62026091
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namemethyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(CC(C)C#N)C(C)C
InChIInChI=1S/C10H18N2O2/c1-8(2)12(6-9(3)5-11)7-10(13)14-4/h8-9H,6-7H2,1-4H3
InChIKeyUXHQWLJHKADFME-UHFFFAOYSA-N
XLogP1.03
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate (CID 62026091) is methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate is COC(=O)CN(CC(C)C#N)C(C)C.
What is the InChIKey of methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate?
The InChIKey is UXHQWLJHKADFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(2)12(6-9(3)5-11)7-10(13)14-4/h8-9H,6-7H2,1-4H3.
What are the key properties of methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate?
methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate has a molecular weight of 198.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 62026091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).