methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate

C13H19NO3 — CID 134162015

IUPACmethyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate
SMILESCOC(=O)CC(NCc1ccco1)C1CCC1
InChIInChI=1S/C13H19NO3/c1-16-13(15)8-12(10-4-2-5-10)14-9-11-6-3-7-17-11/h3,6-7,10,12,14H,2,4-5,8-9H2,1H3
InChIKeyHFMAAGOTIVSBSG-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.10
Rot. Bonds6

About methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate

methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate (PubChem CID 134162015) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate
PubChem CID134162015
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate
SMILESCOC(=O)CC(NCc1ccco1)C1CCC1
InChIInChI=1S/C13H19NO3/c1-16-13(15)8-12(10-4-2-5-10)14-9-11-6-3-7-17-11/h3,6-7,10,12,14H,2,4-5,8-9H2,1H3
InChIKeyHFMAAGOTIVSBSG-UHFFFAOYSA-N
XLogP2.10
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(benzylamino)-3-cyclopropylpropanoate
CID 134161981
methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate
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CID 58000258
1-cyclohexyl-N-(furan-2-ylmethyl)ethanamine
CID 43754928
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708
1-cycloheptyl-2-(furan-2-yl)-N-methylethanamine
CID 83175244
3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide
CID 115655784
1-cyclobutyl-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)methanamine
CID 119122066
2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083284
tert-butyl N-[1-cyclopropyl-2-(furan-2-ylmethylamino)ethyl]carbamate
CID 103872258
2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate?
The IUPAC name of methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate (CID 134162015) is methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate.
What is the SMILES notation for methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate?
The canonical SMILES for methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate is COC(=O)CC(NCc1ccco1)C1CCC1.
What is the InChIKey of methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate?
The InChIKey is HFMAAGOTIVSBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-13(15)8-12(10-4-2-5-10)14-9-11-6-3-7-17-11/h3,6-7,10,12,14H,2,4-5,8-9H2,1H3.
What are the key properties of methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate?
methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate has a molecular weight of 237.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclobutyl-3-(furan-2-ylmethylamino)propanoate is sourced from PubChem (CID 134162015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).