2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid

C11H15NO4 — CID 114819103

IUPAC2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)c1coc(C)c1)C(=O)O
InChIInChI=1S/C11H15NO4/c1-4-11(3,10(14)15)12-9(13)8-5-7(2)16-6-8/h5-6H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyDETGKMNGRQUXTH-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.57
Rot. Bonds4

About 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid

2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid (PubChem CID 114819103) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
PubChem CID114819103
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)c1coc(C)c1)C(=O)O
InChIInChI=1S/C11H15NO4/c1-4-11(3,10(14)15)12-9(13)8-5-7(2)16-6-8/h5-6H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyDETGKMNGRQUXTH-UHFFFAOYSA-N
XLogP1.57
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]pentanoate
CID 114822096
N-(1-chloro-2-methylpropan-2-yl)-5-methylfuran-3-carboxamide
CID 114823198
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide
CID 107845649
2,2-dimethyl-3-[(5-methylfuran-3-carbonyl)amino]propanoic acid
CID 114819150
2-[(4-methoxy-3,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 120686259
2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79792550
2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid
CID 82832526
2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]butanoic acid
CID 120518474
N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide
CID 114821770
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 79792186
2-[(2,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79792717
2-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
CID 114818817

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid (CID 114819103) is 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid is CCC(C)(NC(=O)c1coc(C)c1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid?
The InChIKey is DETGKMNGRQUXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-4-11(3,10(14)15)12-9(13)8-5-7(2)16-6-8/h5-6H,4H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid?
2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 114819103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).