methyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate

C14H19NO4 — CID 86819610

IUPACmethyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)N(C(=O)c1ccc(C)o1)C1CCC1
InChIInChI=1S/C14H19NO4/c1-9-7-8-12(19-9)13(16)15(11-5-4-6-11)10(2)14(17)18-3/h7-8,10-11H,4-6H2,1-3H3
InChIKeyLSTHAOBDGBHQMQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.14
Rot. Bonds4

About methyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate

methyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate (PubChem CID 86819610) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate
PubChem CID86819610
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)N(C(=O)c1ccc(C)o1)C1CCC1
InChIInChI=1S/C14H19NO4/c1-9-7-8-12(19-9)13(16)15(11-5-4-6-11)10(2)14(17)18-3/h7-8,10-11H,4-6H2,1-3H3
InChIKeyLSTHAOBDGBHQMQ-UHFFFAOYSA-N
XLogP2.14
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[cyclobutyl(furan-3-carbonyl)amino]propanoate
CID 99830626
methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate
CID 99795385
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide
CID 71684755
methyl (2S)-2-[cyclobutyl(1,3-thiazole-4-carbonyl)amino]propanoate
CID 99830564
N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide
CID 102684491
methyl 2-[cyclobutyl-(2-ethyl-1,3-thiazole-5-carbonyl)amino]propanoate
CID 119048225
methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate
CID 43407543
methyl 2-[cyclobutyl-[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]propanoate
CID 86819609
propan-2-yl 5-methylfuran-2-carboxylate
CID 60643123
N-[(3-aminocyclohexyl)methyl]-5-methylfuran-2-carboxamide
CID 106123256
3-methyl-2-[methyl-(5-methylfuran-2-carbonyl)amino]butanoic acid
CID 110836763
N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
CID 62956749

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate (CID 86819610) is methyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate is COC(=O)C(C)N(C(=O)c1ccc(C)o1)C1CCC1.
What is the InChIKey of methyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate?
The InChIKey is LSTHAOBDGBHQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-7-8-12(19-9)13(16)15(11-5-4-6-11)10(2)14(17)18-3/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of methyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate?
methyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate has a molecular weight of 265.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclobutyl-(5-methylfuran-2-carbonyl)amino]propanoate is sourced from PubChem (CID 86819610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).