ethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate

C9H15NO3 — CID 54785103

IUPACethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1CC1
InChIInChI=1S/C9H15NO3/c1-3-13-8(11)6-10(2)9(12)7-4-5-7/h7H,3-6H2,1-2H3
InChIKeyDNWRLRKXQUEFES-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.42
Rot. Bonds4

About ethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate

ethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate (PubChem CID 54785103) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
PubChem CID54785103
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1CC1
InChIInChI=1S/C9H15NO3/c1-3-13-8(11)6-10(2)9(12)7-4-5-7/h7H,3-6H2,1-2H3
InChIKeyDNWRLRKXQUEFES-UHFFFAOYSA-N
XLogP0.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate (CID 54785103) is ethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate is CCOC(=O)CN(C)C(=O)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate?
The InChIKey is DNWRLRKXQUEFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-13-8(11)6-10(2)9(12)7-4-5-7/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate?
ethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate has a molecular weight of 185.22 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropanecarbonyl(methyl)amino]acetate is sourced from PubChem (CID 54785103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).