2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid

C14H21NO4 — CID 84588870

IUPAC2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)CCc1ccc(C)o1)C(=O)O
InChIInChI=1S/C14H21NO4/c1-4-9-14(3,13(17)18)15-12(16)8-7-11-6-5-10(2)19-11/h5-6H,4,7-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeySTCCOFBFSNENPW-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.28
Rot. Bonds7

About 2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid

2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid (PubChem CID 84588870) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid
PubChem CID84588870
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)CCc1ccc(C)o1)C(=O)O
InChIInChI=1S/C14H21NO4/c1-4-9-14(3,13(17)18)15-12(16)8-7-11-6-5-10(2)19-11/h5-6H,4,7-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeySTCCOFBFSNENPW-UHFFFAOYSA-N
XLogP2.28
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,5-dimethylphenyl)propanoylamino]-2-methylpentanoic acid
CID 120517074
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid
CID 120517076
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(5-methylfuran-2-yl)propanamide
CID 110003110
2-methyl-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pentanoic acid
CID 119192267
2-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylpentanoic acid
CID 43619035
2-methyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanoic acid
CID 119192005
3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
CID 4780000
2-[3-(4-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 43618706
2-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 43619012
1,11-bis(5-methylfuran-2-yl)undecane-3,6,9-trione
CID 71384501
2-(4-aminobutanoylamino)-2-methylpentanoic acid
CID 61159882
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid (CID 84588870) is 2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid is CCCC(C)(NC(=O)CCc1ccc(C)o1)C(=O)O.
What is the InChIKey of 2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid?
The InChIKey is STCCOFBFSNENPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-9-14(3,13(17)18)15-12(16)8-7-11-6-5-10(2)19-11/h5-6H,4,7-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid?
2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 84588870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).