2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid

C10H15NO3 — CID 61426806

IUPAC2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(Cc1ccoc1)C(C)(C)C(=O)O
InChIInChI=1S/C10H15NO3/c1-10(2,9(12)13)11(3)6-8-4-5-14-7-8/h4-5,7H,6H2,1-3H3,(H,12,13)
InChIKeyPTKGRBCWILOZOY-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.57
Rot. Bonds4

About 2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid

2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 61426806) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
PubChem CID61426806
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(Cc1ccoc1)C(C)(C)C(=O)O
InChIInChI=1S/C10H15NO3/c1-10(2,9(12)13)11(3)6-8-4-5-14-7-8/h4-5,7H,6H2,1-3H3,(H,12,13)
InChIKeyPTKGRBCWILOZOY-UHFFFAOYSA-N
XLogP1.57
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
CID 110868951
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
2-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]butanoic acid
CID 62271233
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
2-(furan-3-ylmethylamino)-2-methylpropanoic acid
CID 83171452
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55123362
4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498062
2-fluoro-4-[furan-3-ylmethyl(methyl)amino]benzoic acid
CID 115485376
3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid
CID 55107661
2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine
CID 61422931
2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 62820545
2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 103733157

Frequently Asked Questions

What is the IUPAC name of 2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid (CID 61426806) is 2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid is CN(Cc1ccoc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is PTKGRBCWILOZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2,9(12)13)11(3)6-8-4-5-14-7-8/h4-5,7H,6H2,1-3H3,(H,12,13).
What are the key properties of 2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid?
2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61426806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).