2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid

C13H21NO3 — CID 55056222

IUPAC2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid
SMILESCCCC(C)(CN(C)Cc1ccco1)C(=O)O
InChIInChI=1S/C13H21NO3/c1-4-7-13(2,12(15)16)10-14(3)9-11-6-5-8-17-11/h5-6,8H,4,7,9-10H2,1-3H3,(H,15,16)
InChIKeyVTRBRBKDCQTSIA-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.60
Rot. Bonds7

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

2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid (PubChem CID 55056222) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid
PubChem CID55056222
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid
SMILESCCCC(C)(CN(C)Cc1ccco1)C(=O)O
InChIInChI=1S/C13H21NO3/c1-4-7-13(2,12(15)16)10-14(3)9-11-6-5-8-17-11/h5-6,8H,4,7,9-10H2,1-3H3,(H,15,16)
InChIKeyVTRBRBKDCQTSIA-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

2-[[ethyl(furan-2-ylmethyl)amino]methyl]-2-methylbutanoic acid
CID 55055367
2-(bromomethyl)-N-(furan-2-ylmethyl)-N-methyl-2-propylpentan-1-amine
CID 65005420
2-(furan-2-ylmethyl)-2-methylbutanoic acid
CID 62998305
2,2-bis(furan-2-ylmethyl)pentanoic acid
CID 174666609
1-[furan-2-ylmethyl(methyl)amino]butan-2-one
CID 62038679
4-[ethyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanoic acid
CID 65248066
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
2-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylpentanamide
CID 60947093
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
2-[ethyl(furan-2-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
CID 62822299
3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid?
The IUPAC name of 2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid (CID 55056222) is 2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid?
The canonical SMILES for 2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid is CCCC(C)(CN(C)Cc1ccco1)C(=O)O.
What is the InChIKey of 2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid?
The InChIKey is VTRBRBKDCQTSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-7-13(2,12(15)16)10-14(3)9-11-6-5-8-17-11/h5-6,8H,4,7,9-10H2,1-3H3,(H,15,16).
What are the key properties of 2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid?
2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic 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-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid is sourced from PubChem (CID 55056222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).