2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid

C10H14F3NO4 — CID 114900368

IUPAC2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid
SMILESCC(CC(O)C(F)(F)F)(C(=O)O)C(=O)NC1CC1
InChIInChI=1S/C10H14F3NO4/c1-9(8(17)18,4-6(15)10(11,12)13)7(16)14-5-2-3-5/h5-6,15H,2-4H2,1H3,(H,14,16)(H,17,18)
InChIKeyBRCREWDBESQKJE-UHFFFAOYSA-N
MW269.22 g/mol
LogP0.67
Rot. Bonds5

About 2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid

2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid (PubChem CID 114900368) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid
PubChem CID114900368
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid
SMILESCC(CC(O)C(F)(F)F)(C(=O)O)C(=O)NC1CC1
InChIInChI=1S/C10H14F3NO4/c1-9(8(17)18,4-6(15)10(11,12)13)7(16)14-5-2-3-5/h5-6,15H,2-4H2,1H3,(H,14,16)(H,17,18)
InChIKeyBRCREWDBESQKJE-UHFFFAOYSA-N
XLogP0.67
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylcarbamoyl)-4-hydroxy-2,5,5-trimethylhexanoic acid
CID 114265376
2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid
CID 106993165
2-(cyclopropylcarbamoyl)-2-methylpentanoic acid
CID 114900437
2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid
CID 114900486
2-(cyclopropylcarbamoyl)-2-methylundecanoic acid
CID 114900288
2-(cyclopropylcarbamoyl)-2-methyl-4-propoxybutanoic acid
CID 106460149
3-(cyclopropylamino)-2-methyl-3-oxo-2-[(4-propan-2-ylphenyl)methyl]propanoic acid
CID 114900279
3-(cyclopropylamino)-2-methyl-3-oxo-2-(oxolan-2-ylmethyl)propanoic acid
CID 114900280
2-fluoro-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 130165281
2-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 114900410
3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid
CID 114900382
2-[(4-chloro-3-fluorophenyl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 107889838

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid?
The IUPAC name of 2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid (CID 114900368) is 2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid.
What is the SMILES notation for 2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid?
The canonical SMILES for 2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid is CC(CC(O)C(F)(F)F)(C(=O)O)C(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid?
The InChIKey is BRCREWDBESQKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c1-9(8(17)18,4-6(15)10(11,12)13)7(16)14-5-2-3-5/h5-6,15H,2-4H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid?
2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid has a molecular weight of 269.22 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid is sourced from PubChem (CID 114900368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).