ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate

C13H21NO3 — CID 60965797

IUPACethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1ccc(C)o1)C(C)C
InChIInChI=1S/C13H21NO3/c1-5-16-13(15)9-14(10(2)3)8-12-7-6-11(4)17-12/h6-7,10H,5,8-9H2,1-4H3
InChIKeySGAHGXZXSIXHHP-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.36
Rot. Bonds6

About ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate

ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate (PubChem CID 60965797) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
PubChem CID60965797
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1ccc(C)o1)C(C)C
InChIInChI=1S/C13H21NO3/c1-5-16-13(15)9-14(10(2)3)8-12-7-6-11(4)17-12/h6-7,10H,5,8-9H2,1-4H3
InChIKeySGAHGXZXSIXHHP-UHFFFAOYSA-N
XLogP2.36
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate
CID 115539193
2-[butan-2-yl-[(5-methylfuran-2-yl)methyl]amino]acetic acid
CID 60833890
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
4-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]butanoic acid
CID 60833315
ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate
CID 62027010
4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
CID 103155199
3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol
CID 60965924
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpentanamide
CID 82011876
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate (CID 60965797) is ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate is CCOC(=O)CN(Cc1ccc(C)o1)C(C)C.
What is the InChIKey of ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate?
The InChIKey is SGAHGXZXSIXHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-16-13(15)9-14(10(2)3)8-12-7-6-11(4)17-12/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate?
ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate has a molecular weight of 239.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate is sourced from PubChem (CID 60965797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).