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

C12H17NO4 — CID 61343316

IUPACethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc(C)oc1C
InChIInChI=1S/C12H17NO4/c1-5-16-12(15)8(3)13-11(14)10-6-7(2)17-9(10)4/h6,8H,5H2,1-4H3,(H,13,14)
InChIKeyHZZMYZFPUFKCDK-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.58
Rot. Bonds4

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

ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate (PubChem CID 61343316) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
PubChem CID61343316
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nameethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1cc(C)oc1C
InChIInChI=1S/C12H17NO4/c1-5-16-12(15)8(3)13-11(14)10-6-7(2)17-9(10)4/h6,8H,5H2,1-4H3,(H,13,14)
InChIKeyHZZMYZFPUFKCDK-UHFFFAOYSA-N
XLogP1.58
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
CID 18712127
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
ethyl 2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
CID 47069930
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate
CID 114372027
ethyl 2-[(4-bromo-2-methylbenzoyl)amino]propanoate
CID 61344248
1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-heptan-2-ylurea
CID 47018404
ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 115298966
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823373

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate (CID 61343316) is ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1cc(C)oc1C.
What is the InChIKey of ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate?
The InChIKey is HZZMYZFPUFKCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-5-16-12(15)8(3)13-11(14)10-6-7(2)17-9(10)4/h6,8H,5H2,1-4H3,(H,13,14).
What are the key properties of ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate?
ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate has a molecular weight of 239.27 g/mol, XLogP of 1.58, 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]propanoate is sourced from PubChem (CID 61343316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).