ethyl 2-[cyclopropyl(ethyl)amino]acetate

C9H17NO2 — CID 43264349

IUPACethyl 2-[cyclopropyl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)C1CC1
InChIInChI=1S/C9H17NO2/c1-3-10(8-5-6-8)7-9(11)12-4-2/h8H,3-7H2,1-2H3
InChIKeyNPGMDSPJSHAWRY-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds5

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

ethyl 2-[cyclopropyl(ethyl)amino]acetate (PubChem CID 43264349) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(ethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(ethyl)amino]acetate
PubChem CID43264349
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 2-[cyclopropyl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)C1CC1
InChIInChI=1S/C9H17NO2/c1-3-10(8-5-6-8)7-9(11)12-4-2/h8H,3-7H2,1-2H3
InChIKeyNPGMDSPJSHAWRY-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[cyclopropyl(ethyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(ethyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(ethyl)amino]acetate (CID 43264349) is ethyl 2-[cyclopropyl(ethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(ethyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(ethyl)amino]acetate is CCOC(=O)CN(CC)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(ethyl)amino]acetate?
The InChIKey is NPGMDSPJSHAWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-10(8-5-6-8)7-9(11)12-4-2/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl(ethyl)amino]acetate?
ethyl 2-[cyclopropyl(ethyl)amino]acetate has a molecular weight of 171.24 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(ethyl)amino]acetate is sourced from PubChem (CID 43264349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).