ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate

C11H15NO4 — CID 2225422

IUPACethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(C)oc1C
InChIInChI=1S/C11H15NO4/c1-4-15-10(13)6-12-11(14)9-5-7(2)16-8(9)3/h5H,4,6H2,1-3H3,(H,12,14)
InChIKeyPPJMZQDBAGRTBD-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.19
Rot. Bonds4

About ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate

ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate (PubChem CID 2225422) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate
PubChem CID2225422
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Nameethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(C)oc1C
InChIInChI=1S/C11H15NO4/c1-4-15-10(13)6-12-11(14)9-5-7(2)16-8(9)3/h5H,4,6H2,1-3H3,(H,12,14)
InChIKeyPPJMZQDBAGRTBD-UHFFFAOYSA-N
XLogP1.19
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Furmecyclox
CID 43359
N-[(furan-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 845080
4-(2,5-Dimethyl-3-furoyl)morpholine
CID 831995
4-[(5-Isobutyl-2-methyl-furan-3-carbonyl)-amino]-butyric acid
CID 2932477
2-[(2,5-Dimethylfuran-3-yl)formamido]acetic acid
CID 1085174
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2362895
1-(2,5-Dimethylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 2813437
(2,5-Dimethylfuran-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4573434
N-benzyl-2-methylfuran-3-carboxamide
CID 690372
2-methyl-N-(4-phenylbutyl)-3-furamide
CID 2164788
Cyclafuramid
CID 93178
5-{[(5-Methyl-furan-3-carbonyl)-amino]-methyl}-furan-3-carboxylic acid
CID 573327

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate (CID 2225422) is ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(C)oc1C.
What is the InChIKey of ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate?
The InChIKey is PPJMZQDBAGRTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-4-15-10(13)6-12-11(14)9-5-7(2)16-8(9)3/h5H,4,6H2,1-3H3,(H,12,14).
What are the key properties of ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate?
ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate has a molecular weight of 225.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]acetate is sourced from PubChem (CID 2225422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).