ethyl 3-amino-2-ethylbutanoate

C8H17NO2 — CID 123616344

IUPACethyl 3-amino-2-ethylbutanoate
SMILESCCOC(=O)C(CC)C(C)N
InChIInChI=1S/C8H17NO2/c1-4-7(6(3)9)8(10)11-5-2/h6-7H,4-5,9H2,1-3H3
InChIKeyGRJFDIMXRAVHCR-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.92
Rot. Bonds4

About ethyl 3-amino-2-ethylbutanoate

ethyl 3-amino-2-ethylbutanoate (PubChem CID 123616344) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is ethyl 3-amino-2-ethylbutanoate.

Molecular Properties

Compound Nameethyl 3-amino-2-ethylbutanoate
PubChem CID123616344
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Nameethyl 3-amino-2-ethylbutanoate
SMILESCCOC(=O)C(CC)C(C)N
InChIInChI=1S/C8H17NO2/c1-4-7(6(3)9)8(10)11-5-2/h6-7H,4-5,9H2,1-3H3
InChIKeyGRJFDIMXRAVHCR-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-amino-2-ethylbutanoate 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

diethyl 2-ethyl-3-methylbutanedioate
CID 19419903
triethyl butane-1,1,2-tricarboxylate
CID 21331229
diethyl 2-ethyl-3-methylpentanedioate
CID 13403909
diethyl 2-ethyl-3-propan-2-ylbutanedioate
CID 22639846
diethyl 2-(1-aminoethyl)pentanedioate
CID 166437194
ethyl 2,3-dimethylpentanoate
CID 55255239
ethane;ethyl 2-methylbutanoate
CID 144747106
diethyl 2-methylpropanedioate;zirconium
CID 174876844
diethyl (2R,3R)-2,3-bis(2-methylpropyl)butanedioate
CID 100932305
(3R)-4-ethoxy-2,3-dimethyl-4-oxobutanoic acid
CID 150582435
diethyl (2S,3S)-2,3-bis(hydroxymethyl)butanedioate
CID 134885080
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-ethylbutanoate?
The IUPAC name of ethyl 3-amino-2-ethylbutanoate (CID 123616344) is ethyl 3-amino-2-ethylbutanoate.
What is the SMILES notation for ethyl 3-amino-2-ethylbutanoate?
The canonical SMILES for ethyl 3-amino-2-ethylbutanoate is CCOC(=O)C(CC)C(C)N.
What is the InChIKey of ethyl 3-amino-2-ethylbutanoate?
The InChIKey is GRJFDIMXRAVHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7(6(3)9)8(10)11-5-2/h6-7H,4-5,9H2,1-3H3.
What are the key properties of ethyl 3-amino-2-ethylbutanoate?
ethyl 3-amino-2-ethylbutanoate has a molecular weight of 159.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-ethylbutanoate is sourced from PubChem (CID 123616344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).