ethyl 2-(furan-2-ylmethylamino)butanoate

C11H17NO3 — CID 64667944

IUPACethyl 2-(furan-2-ylmethylamino)butanoate
SMILESCCOC(=O)C(CC)NCc1ccco1
InChIInChI=1S/C11H17NO3/c1-3-10(11(13)14-4-2)12-8-9-6-5-7-15-9/h5-7,10,12H,3-4,8H2,1-2H3
InChIKeyBIFLEOYCOMWPFS-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.71
Rot. Bonds6

About ethyl 2-(furan-2-ylmethylamino)butanoate

ethyl 2-(furan-2-ylmethylamino)butanoate (PubChem CID 64667944) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-(furan-2-ylmethylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-(furan-2-ylmethylamino)butanoate
PubChem CID64667944
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 2-(furan-2-ylmethylamino)butanoate
SMILESCCOC(=O)C(CC)NCc1ccco1
InChIInChI=1S/C11H17NO3/c1-3-10(11(13)14-4-2)12-8-9-6-5-7-15-9/h5-7,10,12H,3-4,8H2,1-2H3
InChIKeyBIFLEOYCOMWPFS-UHFFFAOYSA-N
XLogP1.71
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-(furan-2-ylmethylamino)pent-4-ynoate
CID 132820553
ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate
CID 83042042
ethyl 2-amino-3-(furan-2-yl)propanoate
CID 22608494
(3S)-4-(4-ethoxycarbonylanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid
CID 1077880
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate
CID 23332336
ethyl 2-[(3-methylphenyl)methylamino]butanoate
CID 64669137
2-(furan-2-ylmethylamino)butan-1-ol
CID 4722612
ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148329
ethyl 2-acetamido-2-(furan-2-yl)acetate
CID 14212852
tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
CID 103773961
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-ylmethylamino)butanoate?
The IUPAC name of ethyl 2-(furan-2-ylmethylamino)butanoate (CID 64667944) is ethyl 2-(furan-2-ylmethylamino)butanoate.
What is the SMILES notation for ethyl 2-(furan-2-ylmethylamino)butanoate?
The canonical SMILES for ethyl 2-(furan-2-ylmethylamino)butanoate is CCOC(=O)C(CC)NCc1ccco1.
What is the InChIKey of ethyl 2-(furan-2-ylmethylamino)butanoate?
The InChIKey is BIFLEOYCOMWPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-10(11(13)14-4-2)12-8-9-6-5-7-15-9/h5-7,10,12H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-(furan-2-ylmethylamino)butanoate?
ethyl 2-(furan-2-ylmethylamino)butanoate has a molecular weight of 211.26 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-ylmethylamino)butanoate is sourced from PubChem (CID 64667944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).