2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid

C13H21NO3 — CID 55055367

IUPAC2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
SMILESCCN(Cc1ccco1)CC(C)(CC)C(=O)O
InChIInChI=1S/C13H21NO3/c1-4-13(3,12(15)16)10-14(5-2)9-11-7-6-8-17-11/h6-8H,4-5,9-10H2,1-3H3,(H,15,16)
InChIKeyRQCHBPMAPFMHCY-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.60
Rot. Bonds7

About 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid

2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid (PubChem CID 55055367) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
PubChem CID55055367
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
SMILESCCN(Cc1ccco1)CC(C)(CC)C(=O)O
InChIInChI=1S/C13H21NO3/c1-4-13(3,12(15)16)10-14(5-2)9-11-7-6-8-17-11/h6-8H,4-5,9-10H2,1-3H3,(H,15,16)
InChIKeyRQCHBPMAPFMHCY-UHFFFAOYSA-N
XLogP2.60
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
CID 65248066
2-(furan-2-ylmethyl)-2-methylbutanoic acid
CID 62998305
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid
CID 55056222
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62845853
2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine
CID 65003976
3-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193959
2-[ethyl(furan-2-ylmethyl)amino]-1-phenylethanone
CID 62037006
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
1-[ethyl(furan-2-ylmethyl)amino]-3-phenylpropan-2-one
CID 62037011
3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 55094929
2-ethyl-4-[ethyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 77102101

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid (CID 55055367) is 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid is CCN(Cc1ccco1)CC(C)(CC)C(=O)O.
What is the InChIKey of 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid?
The InChIKey is RQCHBPMAPFMHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-13(3,12(15)16)10-14(5-2)9-11-7-6-8-17-11/h6-8H,4-5,9-10H2,1-3H3,(H,15,16).
What are the key properties of 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid?
2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid has a molecular weight of 239.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid is sourced from PubChem (CID 55055367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).