ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate

C12H19NO4 — CID 103238482

IUPACethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CNC(C)c1ccco1
InChIInChI=1S/C12H19NO4/c1-3-16-12(15)7-10(14)8-13-9(2)11-5-4-6-17-11/h4-6,9-10,13-14H,3,7-8H2,1-2H3
InChIKeyCFCYLTSKUBDBDO-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.24
Rot. Bonds7

About ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate

ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate (PubChem CID 103238482) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate
PubChem CID103238482
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nameethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CNC(C)c1ccco1
InChIInChI=1S/C12H19NO4/c1-3-16-12(15)7-10(14)8-13-9(2)11-5-4-6-17-11/h4-6,9-10,13-14H,3,7-8H2,1-2H3
InChIKeyCFCYLTSKUBDBDO-UHFFFAOYSA-N
XLogP1.24
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate
CID 103230788
ethyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]butanoate
CID 81399972
1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
CID 54938711
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
ethyl (3S)-3-(furan-2-yl)-3-(hydroxyamino)propanoate
CID 125473077
2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine
CID 81400852
ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate
CID 103258076
ethyl 3-acetyloxy-3-(furan-2-yl)propanoate
CID 13173231
ethyl 4-[1-(4-cyanophenyl)ethylamino]-3-hydroxybutanoate
CID 103240179
N-ethyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-methylacetamide
CID 81399721

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate?
The IUPAC name of ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate (CID 103238482) is ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate is CCOC(=O)CC(O)CNC(C)c1ccco1.
What is the InChIKey of ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate?
The InChIKey is CFCYLTSKUBDBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-16-12(15)7-10(14)8-13-9(2)11-5-4-6-17-11/h4-6,9-10,13-14H,3,7-8H2,1-2H3.
What are the key properties of ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate?
ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate has a molecular weight of 241.29 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate is sourced from PubChem (CID 103238482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).