ethyl 2-[cyclopropylmethyl(methyl)amino]acetate

C9H17NO2 — CID 60965916

IUPACethyl 2-[cyclopropylmethyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)CC1CC1
InChIInChI=1S/C9H17NO2/c1-3-12-9(11)7-10(2)6-8-4-5-8/h8H,3-7H2,1-2H3
InChIKeyXOZFRGCKSRXHDE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds5

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

ethyl 2-[cyclopropylmethyl(methyl)amino]acetate (PubChem CID 60965916) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 2-[cyclopropylmethyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropylmethyl(methyl)amino]acetate
PubChem CID60965916
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 2-[cyclopropylmethyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)CC1CC1
InChIInChI=1S/C9H17NO2/c1-3-12-9(11)7-10(2)6-8-4-5-8/h8H,3-7H2,1-2H3
InChIKeyXOZFRGCKSRXHDE-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[cyclopropylmethyl(methyl)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

Related Compounds

Glycine, N,N-dipentyl-, ethyl ester
CID 96116
Glycine, N,N-dibutyl-, ethyl ester
CID 17537
Glycine, N,N-diisobutyl-, ethyl ester
CID 17538
Glycine, N,N-diisopentyl-, ethyl ester
CID 17698
Ethyl 2-[(cyclopropylmethyl)amino]acetate
CID 22175907
Ethyl 2-(dipropylamino)acetate
CID 575237
Carbethoxymethyl-tri-n-butylammonium bromide
CID 24832974
N,N-dibutylglycine methyl ester
CID 13879346
Ethyl 2-[butyl(methyl)amino]acetate
CID 28878706
Butyl-(2-ethoxy-2-oxoethyl)-dimethylazanium
CID 91805186
Ethyl 2-(1-methylpyrrolidin-1-ium-1-yl)acetate
CID 89171
Sarcosine, N-cyclopropylcarbonyl-, ethyl ester
CID 54785103

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropylmethyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropylmethyl(methyl)amino]acetate (CID 60965916) is ethyl 2-[cyclopropylmethyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropylmethyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropylmethyl(methyl)amino]acetate is CCOC(=O)CN(C)CC1CC1.
What is the InChIKey of ethyl 2-[cyclopropylmethyl(methyl)amino]acetate?
The InChIKey is XOZFRGCKSRXHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-12-9(11)7-10(2)6-8-4-5-8/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropylmethyl(methyl)amino]acetate?
ethyl 2-[cyclopropylmethyl(methyl)amino]acetate has a molecular weight of 171.24 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropylmethyl(methyl)amino]acetate is sourced from PubChem (CID 60965916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).