2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid

C11H17NO4 — CID 115730530

IUPAC2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C1=COCC1)C(=O)O
InChIInChI=1S/C11H17NO4/c1-3-5-11(2,10(14)15)12-9(13)8-4-6-16-7-8/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyWABOWUMOKWNRKS-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.05
Rot. Bonds5

About 2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid

2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid (PubChem CID 115730530) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid
PubChem CID115730530
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)C1=COCC1)C(=O)O
InChIInChI=1S/C11H17NO4/c1-3-5-11(2,10(14)15)12-9(13)8-4-6-16-7-8/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyWABOWUMOKWNRKS-UHFFFAOYSA-N
XLogP1.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylpentanoic acid
CID 43619133
2-[(3,5-dihydroxybenzoyl)amino]-2-methylpentanoic acid
CID 107702413
methyl 2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-2-methylpentanoate
CID 43423946
2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid
CID 43618481
2-methyl-2-[(2,3,4-trifluorobenzoyl)amino]pentanoic acid
CID 79749694
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-methylpentanoic acid
CID 43619096
2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 115298445
2-[(6-chloropyrazine-2-carbonyl)amino]-2-methylpentanoic acid
CID 114035170
2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
CID 43618517
2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 43618664
2-methyl-2-[(5-nitrothiophene-3-carbonyl)amino]pentanoic acid
CID 60811704
2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 113227894

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid (CID 115730530) is 2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid is CCCC(C)(NC(=O)C1=COCC1)C(=O)O.
What is the InChIKey of 2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid?
The InChIKey is WABOWUMOKWNRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-5-11(2,10(14)15)12-9(13)8-4-6-16-7-8/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid?
2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid has a molecular weight of 227.26 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrofuran-4-carbonylamino)-2-methylpentanoic acid is sourced from PubChem (CID 115730530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).