methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate

C12H19NO5 — CID 79507050

IUPACmethyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C(C)C1CC1
InChIInChI=1S/C12H19NO5/c1-8(9-4-5-9)12(16)13(6-10(14)17-2)7-11(15)18-3/h8-9H,4-7H2,1-3H3
InChIKeyYDAICPNBFQYAHL-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.21
Rot. Bonds6

About methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 79507050) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID79507050
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Namemethyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C(C)C1CC1
InChIInChI=1S/C12H19NO5/c1-8(9-4-5-9)12(16)13(6-10(14)17-2)7-11(15)18-3/h8-9H,4-7H2,1-3H3
InChIKeyYDAICPNBFQYAHL-UHFFFAOYSA-N
XLogP0.21
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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2-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 79507050) is methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)C(C)C1CC1.
What is the InChIKey of methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is YDAICPNBFQYAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-8(9-4-5-9)12(16)13(6-10(14)17-2)7-11(15)18-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 257.29 g/mol, XLogP of 0.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-cyclopropylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 79507050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).