furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate

C11H15NO5 — CID 164839099

IUPACfuran-2-ylmethyl 4-(methoxycarbonylamino)butanoate
SMILESCOC(=O)NCCCC(=O)OCc1ccco1
InChIInChI=1S/C11H15NO5/c1-15-11(14)12-6-2-5-10(13)17-8-9-4-3-7-16-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,14)
InChIKeySPRMMUFQCREZHD-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.46
Rot. Bonds6

About furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate

furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate (PubChem CID 164839099) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate.

Molecular Properties

Compound Namefuran-2-ylmethyl 4-(methoxycarbonylamino)butanoate
PubChem CID164839099
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Namefuran-2-ylmethyl 4-(methoxycarbonylamino)butanoate
SMILESCOC(=O)NCCCC(=O)OCc1ccco1
InChIInChI=1S/C11H15NO5/c1-15-11(14)12-6-2-5-10(13)17-8-9-4-3-7-16-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,14)
InChIKeySPRMMUFQCREZHD-UHFFFAOYSA-N
XLogP1.46
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

furan-2-ylmethyl 4-sulfanylbutanoate
CID 89395798
furan-2-ylmethyl 2-methoxyacetate
CID 134852986
furan-2-ylmethyl 2-(methylamino)acetate
CID 70320956
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384
furan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653423
4-O-[3-[4-(furan-2-ylmethoxy)-4-oxobutanoyl]oxy-2,2-bis[[4-(furan-2-ylmethoxy)-4-oxobutanoyl]oxymethyl]propyl] 1-O-(furan-2-ylmethyl) butanedioate
CID 101447383
tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
CID 103821653
furan-2-ylmethyl 2-acetylsulfanylacetate
CID 139696753
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate
CID 8859315
methyl N-[3-(furan-2-yl)propoxy]carbamate
CID 110315779
furan-2-ylmethyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 174830614
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate?
The IUPAC name of furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate (CID 164839099) is furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate.
What is the SMILES notation for furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate?
The canonical SMILES for furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate is COC(=O)NCCCC(=O)OCc1ccco1.
What is the InChIKey of furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate?
The InChIKey is SPRMMUFQCREZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-15-11(14)12-6-2-5-10(13)17-8-9-4-3-7-16-9/h3-4,7H,2,5-6,8H2,1H3,(H,12,14).
What are the key properties of furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate?
furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate has a molecular weight of 241.24 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate is sourced from PubChem (CID 164839099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).