methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate

C15H23NO3 — CID 54917626

IUPACmethyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate
SMILESCOC(=O)C(NCc1ccc(C2CC2C)o1)C(C)C
InChIInChI=1S/C15H23NO3/c1-9(2)14(15(17)18-4)16-8-11-5-6-13(19-11)12-7-10(12)3/h5-6,9-10,12,14,16H,7-8H2,1-4H3
InChIKeyBUORUNQXJGXAKR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.69
Rot. Bonds6

About methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate

methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate (PubChem CID 54917626) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate
PubChem CID54917626
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate
SMILESCOC(=O)C(NCc1ccc(C2CC2C)o1)C(C)C
InChIInChI=1S/C15H23NO3/c1-9(2)14(15(17)18-4)16-8-11-5-6-13(19-11)12-7-10(12)3/h5-6,9-10,12,14,16H,7-8H2,1-4H3
InChIKeyBUORUNQXJGXAKR-UHFFFAOYSA-N
XLogP2.69
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate with MolForge

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Related Compounds

methyl 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanoate
CID 60780737
methyl (2S)-2-[(5-iodofuran-2-yl)methylamino]-3-methylbutanoate
CID 43776105
N,N-diethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanamide
CID 43739403
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
CID 78998178
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-2-phenylacetic acid
CID 62109475
1-(4-methoxyphenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethanamine
CID 62050449
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115588959
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
CID 112723028
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43230736
N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94502622
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate
CID 43321572

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate?
The IUPAC name of methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate (CID 54917626) is methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate is COC(=O)C(NCc1ccc(C2CC2C)o1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate?
The InChIKey is BUORUNQXJGXAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(2)14(15(17)18-4)16-8-11-5-6-13(19-11)12-7-10(12)3/h5-6,9-10,12,14,16H,7-8H2,1-4H3.
What are the key properties of methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate?
methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butanoate is sourced from PubChem (CID 54917626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).