methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate

C14H16N2O4 — CID 43423964

IUPACmethyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C(C)Oc1ccccc1C#N
InChIInChI=1S/C14H16N2O4/c1-10(14(18)16(2)9-13(17)19-3)20-12-7-5-4-6-11(12)8-15/h4-7,10H,9H2,1-3H3
InChIKeyDNRJNMVKQRSUIE-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.96
Rot. Bonds5

About methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate

methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate (PubChem CID 43423964) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate
PubChem CID43423964
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C(C)Oc1ccccc1C#N
InChIInChI=1S/C14H16N2O4/c1-10(14(18)16(2)9-13(17)19-3)20-12-7-5-4-6-11(12)8-15/h4-7,10H,9H2,1-3H3
InChIKeyDNRJNMVKQRSUIE-UHFFFAOYSA-N
XLogP0.96
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(2-cyanophenoxy)propanoyl-propan-2-ylamino]acetate
CID 78884771
2-(2-cyanophenoxy)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 46546464
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
methyl 3-(2-cyanophenoxy)butanoate
CID 43536058
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
(2S)-2-(2-cyanophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 38303758
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
2-[2-(2-cyanophenoxy)propanoyl-(2-phenylethyl)amino]acetic acid
CID 120540489
2-(2-cyanophenoxy)-N-methylsulfonylpropanamide
CID 47232876
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
2-(2-cyanophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576582
2-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7560443

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate?
The IUPAC name of methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate (CID 43423964) is methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate?
The canonical SMILES for methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate is COC(=O)CN(C)C(=O)C(C)Oc1ccccc1C#N.
What is the InChIKey of methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate?
The InChIKey is DNRJNMVKQRSUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-10(14(18)16(2)9-13(17)19-3)20-12-7-5-4-6-11(12)8-15/h4-7,10H,9H2,1-3H3.
What are the key properties of methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate?
methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate has a molecular weight of 276.29 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-cyanophenoxy)propanoyl-methylamino]acetate is sourced from PubChem (CID 43423964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).