3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid

C11H17NO4 — CID 115002340

IUPAC3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid
SMILESCOCC(C)(NCc1ccc(C)o1)C(=O)O
InChIInChI=1S/C11H17NO4/c1-8-4-5-9(16-8)6-12-11(2,7-15-3)10(13)14/h4-5,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyAQUUGKLVJFXDQL-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.17
Rot. Bonds6

About 3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid

3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid (PubChem CID 115002340) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid
PubChem CID115002340
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid
SMILESCOCC(C)(NCc1ccc(C)o1)C(=O)O
InChIInChI=1S/C11H17NO4/c1-8-4-5-9(16-8)6-12-11(2,7-15-3)10(13)14/h4-5,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyAQUUGKLVJFXDQL-UHFFFAOYSA-N
XLogP1.17
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]pentan-2-amine
CID 43434212
methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate
CID 104644390
3-methoxy-2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 115000886
N-[(5-ethylfuran-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115697426
methyl 2-[(5-methylfuran-2-yl)methylamino]-2-oxoacetate
CID 112617149
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(5-methylfuran-2-yl)propanamide
CID 110003110
2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid
CID 84588870
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 103818453
ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate
CID 62534926
3-amino-4-[(5-methylfuran-2-yl)methylamino]benzoic acid
CID 55081894

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid (CID 115002340) is 3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid is COCC(C)(NCc1ccc(C)o1)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid?
The InChIKey is AQUUGKLVJFXDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8-4-5-9(16-8)6-12-11(2,7-15-3)10(13)14/h4-5,12H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid?
3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid has a molecular weight of 227.26 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-[(5-methylfuran-2-yl)methylamino]propanoic acid is sourced from PubChem (CID 115002340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).