ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate

C10H15NO3 — CID 43148329

IUPACethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
SMILESCCOC(=O)C(CN)Cc1ccco1
InChIInChI=1S/C10H15NO3/c1-2-13-10(12)8(7-11)6-9-4-3-5-14-9/h3-5,8H,2,6-7,11H2,1H3
InChIKeyQLWJIEWNHMBDKT-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.96
Rot. Bonds5

About ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate

ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate (PubChem CID 43148329) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
PubChem CID43148329
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
SMILESCCOC(=O)C(CN)Cc1ccco1
InChIInChI=1S/C10H15NO3/c1-2-13-10(12)8(7-11)6-9-4-3-5-14-9/h3-5,8H,2,6-7,11H2,1H3
InChIKeyQLWJIEWNHMBDKT-UHFFFAOYSA-N
XLogP0.96
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148182
ethyl 2-amino-3-(furan-2-yl)propanoate
CID 22608494
ethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate
CID 43148328
(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
propyl 3-(furan-2-yl)-2-methylpropanoate
CID 175280714
2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid
CID 68697822
ethyl 2-(furan-2-ylmethylamino)butanoate
CID 64667944
ethyl 2-(furan-2-ylmethoxy)pentanoate
CID 83038819
2-(furan-2-ylmethyl)butan-1-amine
CID 13029329
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
CID 15638338
(2S)-2-(azaniumylmethyl)-3-(furan-2-yl)propanoate
CID 42329415

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate?
The IUPAC name of ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate (CID 43148329) is ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate is CCOC(=O)C(CN)Cc1ccco1.
What is the InChIKey of ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate?
The InChIKey is QLWJIEWNHMBDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-13-10(12)8(7-11)6-9-4-3-5-14-9/h3-5,8H,2,6-7,11H2,1H3.
What are the key properties of ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate?
ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate has a molecular weight of 197.23 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate is sourced from PubChem (CID 43148329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).