ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate

C12H19NO3 — CID 55150352

IUPACethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CC1CC1)C1CC1
InChIInChI=1S/C12H19NO3/c1-2-16-12(15)8-13(10-5-6-10)11(14)7-9-3-4-9/h9-10H,2-8H2,1H3
InChIKeyUEPAIBQRMUHTND-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.34
Rot. Bonds6

About ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate

ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate (PubChem CID 55150352) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
PubChem CID55150352
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)CC1CC1)C1CC1
InChIInChI=1S/C12H19NO3/c1-2-16-12(15)8-13(10-5-6-10)11(14)7-9-3-4-9/h9-10H,2-8H2,1H3
InChIKeyUEPAIBQRMUHTND-UHFFFAOYSA-N
XLogP1.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate (CID 55150352) is ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate is CCOC(=O)CN(C(=O)CC1CC1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate?
The InChIKey is UEPAIBQRMUHTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-16-12(15)8-13(10-5-6-10)11(14)7-9-3-4-9/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate?
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate has a molecular weight of 225.29 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate is sourced from PubChem (CID 55150352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).