ethyl 2-[[(1R)-1-phenylethyl]amino]acetate

C12H17NO2 — CID 6455333

IUPACethyl 2-[[(1R)-1-phenylethyl]amino]acetate
SMILESCCOC(=O)CN[C@H](C)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3/t10-/m1/s1
InChIKeyNFYBPTIJJCODFR-SNVBAGLBSA-N
MW207.27 g/mol
LogP1.90
Rot. Bonds5

About ethyl 2-[[(1R)-1-phenylethyl]amino]acetate

ethyl 2-[[(1R)-1-phenylethyl]amino]acetate (PubChem CID 6455333) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl 2-[[(1R)-1-phenylethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(1R)-1-phenylethyl]amino]acetate
PubChem CID6455333
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl 2-[[(1R)-1-phenylethyl]amino]acetate
SMILESCCOC(=O)CN[C@H](C)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3/t10-/m1/s1
InChIKeyNFYBPTIJJCODFR-SNVBAGLBSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[(1R)-1-phenylethyl]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-[[(1R)-1-phenylethyl]amino]acetate?
The IUPAC name of ethyl 2-[[(1R)-1-phenylethyl]amino]acetate (CID 6455333) is ethyl 2-[[(1R)-1-phenylethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(1R)-1-phenylethyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(1R)-1-phenylethyl]amino]acetate is CCOC(=O)CN[C@H](C)c1ccccc1.
What is the InChIKey of ethyl 2-[[(1R)-1-phenylethyl]amino]acetate?
The InChIKey is NFYBPTIJJCODFR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3/t10-/m1/s1.
What are the key properties of ethyl 2-[[(1R)-1-phenylethyl]amino]acetate?
ethyl 2-[[(1R)-1-phenylethyl]amino]acetate has a molecular weight of 207.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1R)-1-phenylethyl]amino]acetate is sourced from PubChem (CID 6455333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).