ethyl (2R)-2-aminopropanoate

C5H11NO2 — CID 6932861

IUPACethyl (2R)-2-aminopropanoate
SMILESCCOC(=O)[C@@H](C)N
InChIInChI=1S/C5H11NO2/c1-3-8-5(7)4(2)6/h4H,3,6H2,1-2H3/t4-/m1/s1
InChIKeyROBXZHNBBCHEIQ-SCSAIBSYSA-N
MW117.15 g/mol
LogP-0.10
Rot. Bonds2

About ethyl (2R)-2-aminopropanoate

ethyl (2R)-2-aminopropanoate (PubChem CID 6932861) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is ethyl (2R)-2-aminopropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-aminopropanoate
PubChem CID6932861
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Nameethyl (2R)-2-aminopropanoate
SMILESCCOC(=O)[C@@H](C)N
InChIInChI=1S/C5H11NO2/c1-3-8-5(7)4(2)6/h4H,3,6H2,1-2H3/t4-/m1/s1
InChIKeyROBXZHNBBCHEIQ-SCSAIBSYSA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2R)-2-aminopropanoate 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 (2R)-2-aminopropanoate?
The IUPAC name of ethyl (2R)-2-aminopropanoate (CID 6932861) is ethyl (2R)-2-aminopropanoate.
What is the SMILES notation for ethyl (2R)-2-aminopropanoate?
The canonical SMILES for ethyl (2R)-2-aminopropanoate is CCOC(=O)[C@@H](C)N.
What is the InChIKey of ethyl (2R)-2-aminopropanoate?
The InChIKey is ROBXZHNBBCHEIQ-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-8-5(7)4(2)6/h4H,3,6H2,1-2H3/t4-/m1/s1.
What are the key properties of ethyl (2R)-2-aminopropanoate?
ethyl (2R)-2-aminopropanoate has a molecular weight of 117.15 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-aminopropanoate is sourced from PubChem (CID 6932861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).