methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate

C12H18N2O4 — CID 65498072

IUPACmethyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC1(CC#N)CC1
InChIInChI=1S/C12H18N2O4/c1-17-10(15)7-14(8-11(16)18-2)9-12(3-4-12)5-6-13/h3-5,7-9H2,1-2H3
InChIKeyJWIZQFLLNPUEQR-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.33
Rot. Bonds7

About methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 65498072) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID65498072
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namemethyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)CC1(CC#N)CC1
InChIInChI=1S/C12H18N2O4/c1-17-10(15)7-14(8-11(16)18-2)9-12(3-4-12)5-6-13/h3-5,7-9H2,1-2H3
InChIKeyJWIZQFLLNPUEQR-UHFFFAOYSA-N
XLogP0.33
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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Related Compounds

methyl 3-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxyethyl)amino]propanoate
CID 113330804
methyl 3-[[1-(cyanomethyl)cyclopropyl]methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 115536657
methyl 2-[[1-(cyanomethyl)cyclopropyl]methylsulfanyl]acetate
CID 65493645
2-[1-[[bis(cyanomethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65492583
methyl 3-[[1-(cyanomethyl)cyclopropyl]methylamino]propanoate
CID 65480365
2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide
CID 65493215
methyl 2-[8-(cyanomethyl)-1,4-dioxaspiro[4.5]decan-8-yl]acetate
CID 178102236
2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid
CID 65496533
methyl 3-[[1-(cyanomethyl)cyclopropyl]methylsulfanyl]butanoate
CID 66113949
methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate
CID 65213036
methyl 2-[amino(cyanomethyl)amino]acetate
CID 129156332
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 65498072) is methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)CC1(CC#N)CC1.
What is the InChIKey of methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is JWIZQFLLNPUEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-10(15)7-14(8-11(16)18-2)9-12(3-4-12)5-6-13/h3-5,7-9H2,1-2H3.
What are the key properties of methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 254.29 g/mol, XLogP of 0.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 65498072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).