ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate

C11H17NO3 — CID 62345601

IUPACethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1ccc(CC)o1
InChIInChI=1S/C11H17NO3/c1-3-8-5-6-10(15-8)9(12)7-11(13)14-4-2/h5-6,9H,3-4,7,12H2,1-2H3/t9-/m1/s1
InChIKeyVMNWSPLTDWEPJQ-SECBINFHSA-N
MW211.26 g/mol
LogP1.79
Rot. Bonds5

About ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate

ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate (PubChem CID 62345601) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate
PubChem CID62345601
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate
SMILESCCOC(=O)C[C@@H](N)c1ccc(CC)o1
InChIInChI=1S/C11H17NO3/c1-3-8-5-6-10(15-8)9(12)7-11(13)14-4-2/h5-6,9H,3-4,7,12H2,1-2H3/t9-/m1/s1
InChIKeyVMNWSPLTDWEPJQ-SECBINFHSA-N
XLogP1.79
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate 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

(3S)-3-amino-3-(5-ethylfuran-2-yl)propanamide
CID 78989110
ethyl (3S)-3-amino-3-(5-chlorofuran-2-yl)propanoate
CID 171233148
methyl (2S)-2-amino-2-(5-ethylfuran-2-yl)acetate
CID 171213571
methyl 4-amino-3-(5-ethylfuran-2-yl)pentanoate
CID 66098536
(1S)-1-(5-ethylfuran-2-yl)-2-fluoroethanamine;hydrochloride
CID 171213530
(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171213556
3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide
CID 55255526
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
CID 2847356
(1R)-1-(5-ethylfuran-2-yl)pentan-1-amine;hydrochloride
CID 171213544
(1S)-1-(5-ethylfuran-2-yl)hexan-1-amine
CID 171233167
ethyl 3-amino-3-(4-aminophenyl)propanoate
CID 90765917

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate?
The IUPAC name of ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate (CID 62345601) is ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate.
What is the SMILES notation for ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate?
The canonical SMILES for ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate is CCOC(=O)C[C@@H](N)c1ccc(CC)o1.
What is the InChIKey of ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate?
The InChIKey is VMNWSPLTDWEPJQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-8-5-6-10(15-8)9(12)7-11(13)14-4-2/h5-6,9H,3-4,7,12H2,1-2H3/t9-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate?
ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate has a molecular weight of 211.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-3-(5-ethylfuran-2-yl)propanoate is sourced from PubChem (CID 62345601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).