ethyl 2-[1-(furan-2-yl)ethylamino]propanoate

C11H17NO3 — CID 61498285

IUPACethyl 2-[1-(furan-2-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NC(C)c1ccco1
InChIInChI=1S/C11H17NO3/c1-4-14-11(13)9(3)12-8(2)10-6-5-7-15-10/h5-9,12H,4H2,1-3H3
InChIKeyZGIIJFAXYMQPKX-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.88
Rot. Bonds5

About ethyl 2-[1-(furan-2-yl)ethylamino]propanoate

ethyl 2-[1-(furan-2-yl)ethylamino]propanoate (PubChem CID 61498285) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-[1-(furan-2-yl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[1-(furan-2-yl)ethylamino]propanoate
PubChem CID61498285
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 2-[1-(furan-2-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NC(C)c1ccco1
InChIInChI=1S/C11H17NO3/c1-4-14-11(13)9(3)12-8(2)10-6-5-7-15-10/h5-9,12H,4H2,1-3H3
InChIKeyZGIIJFAXYMQPKX-UHFFFAOYSA-N
XLogP1.88
TPSA51.47 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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]butanoate
CID 81399972
ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate
CID 106677258
ethyl 2-[1-(furan-2-yl)ethylamino]-2-phenylacetate
CID 103604487
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81401011
N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81400011
methyl 2-[[(1R)-1-(furan-2-yl)ethyl]amino]butanoate
CID 115353555
2-[1-(furan-2-yl)ethylamino]-N,N-dimethylpropanamide
CID 43401095
methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
CID 8922155
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(furan-2-yl)ethylamino]propanoate?
The IUPAC name of ethyl 2-[1-(furan-2-yl)ethylamino]propanoate (CID 61498285) is ethyl 2-[1-(furan-2-yl)ethylamino]propanoate.
What is the SMILES notation for ethyl 2-[1-(furan-2-yl)ethylamino]propanoate?
The canonical SMILES for ethyl 2-[1-(furan-2-yl)ethylamino]propanoate is CCOC(=O)C(C)NC(C)c1ccco1.
What is the InChIKey of ethyl 2-[1-(furan-2-yl)ethylamino]propanoate?
The InChIKey is ZGIIJFAXYMQPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-14-11(13)9(3)12-8(2)10-6-5-7-15-10/h5-9,12H,4H2,1-3H3.
What are the key properties of ethyl 2-[1-(furan-2-yl)ethylamino]propanoate?
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate has a molecular weight of 211.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(furan-2-yl)ethylamino]propanoate is sourced from PubChem (CID 61498285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).