methyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate

C11H13NO4 — CID 142617174

IUPACmethyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate
SMILESC=Cc1coc(C(=O)NCCC(=O)OC)c1
InChIInChI=1S/C11H13NO4/c1-3-8-6-9(16-7-8)11(14)12-5-4-10(13)15-2/h3,6-7H,1,4-5H2,2H3,(H,12,14)
InChIKeyIOLWWQURWVMROZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.22
Rot. Bonds5

About methyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate

methyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate (PubChem CID 142617174) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate
PubChem CID142617174
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate
SMILESC=Cc1coc(C(=O)NCCC(=O)OC)c1
InChIInChI=1S/C11H13NO4/c1-3-8-6-9(16-7-8)11(14)12-5-4-10(13)15-2/h3,6-7H,1,4-5H2,2H3,(H,12,14)
InChIKeyIOLWWQURWVMROZ-UHFFFAOYSA-N
XLogP1.22
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3-[[3,5-bis[(3-methoxy-3-oxopropyl)carbamoyl]phenyl]methyl]-5-[(3-methoxy-3-oxopropyl)carbamoyl]benzoyl]amino]propanoate
CID 15840385
methyl 3-(cyclopenta-1,2,4-triene-1-carbonylamino)propanoate
CID 177466741
methyl 3-[[5-(4-fluorophenyl)furan-2-carbonyl]amino]propanoate
CID 37351586
(7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate
CID 43030744
methyl 3-(prop-2-enylcarbamoylamino)propanoate
CID 60706179
methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate
CID 104916458
methyl 3-[(3-carbamoylbenzoyl)amino]propanoate
CID 47159745
methyl 3-[(2-chloro-5-hydroxybenzoyl)amino]propanoate
CID 106501475
methyl 3-[(3-amino-4-methylbenzoyl)amino]propanoate
CID 43665854
methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate
CID 110488353
methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694530
methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 103696316

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate (CID 142617174) is methyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate is C=Cc1coc(C(=O)NCCC(=O)OC)c1.
What is the InChIKey of methyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate?
The InChIKey is IOLWWQURWVMROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-3-8-6-9(16-7-8)11(14)12-5-4-10(13)15-2/h3,6-7H,1,4-5H2,2H3,(H,12,14).
What are the key properties of methyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate?
methyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate has a molecular weight of 223.23 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethenylfuran-2-carbonyl)amino]propanoate is sourced from PubChem (CID 142617174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).