ethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate

C11H17NO3 — CID 43148328

IUPACethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate
SMILESCCOC(=O)C(CN)Cc1ccc(C)o1
InChIInChI=1S/C11H17NO3/c1-3-14-11(13)9(7-12)6-10-5-4-8(2)15-10/h4-5,9H,3,6-7,12H2,1-2H3
InChIKeyDJUTYZNOMSJEPF-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.27
Rot. Bonds5

About ethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate

ethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate (PubChem CID 43148328) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate
PubChem CID43148328
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate
SMILESCCOC(=O)C(CN)Cc1ccc(C)o1
InChIInChI=1S/C11H17NO3/c1-3-14-11(13)9(7-12)6-10-5-4-8(2)15-10/h4-5,9H,3,6-7,12H2,1-2H3
InChIKeyDJUTYZNOMSJEPF-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148329
methyl 2-acetamido-3-(5-methylfuran-2-yl)propanoate
CID 139762783
2,5-dimethylfuran;ethyl acetate
CID 174830713
4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120597638
ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
CID 60965797
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
3-amino-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524542
ethyl 2-amino-5-(5-methylfuran-2-yl)hexanoate
CID 170884770
4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
CID 103155199
ethyl 2-(aminomethyl)-3-(2,3-dimethoxyphenyl)propanoate
CID 43148320
3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 81087637
ethyl 2-(aminomethyl)-3-[3-(difluoromethyl)phenyl]propanoate
CID 113328882

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate?
The IUPAC name of ethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate (CID 43148328) is ethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate is CCOC(=O)C(CN)Cc1ccc(C)o1.
What is the InChIKey of ethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate?
The InChIKey is DJUTYZNOMSJEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-14-11(13)9(7-12)6-10-5-4-8(2)15-10/h4-5,9H,3,6-7,12H2,1-2H3.
What are the key properties of ethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate?
ethyl 2-(aminomethyl)-3-(5-methylfuran-2-yl)propanoate has a molecular weight of 211.26 g/mol, XLogP of 1.27, 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-(5-methylfuran-2-yl)propanoate is sourced from PubChem (CID 43148328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).