2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid

C11H19NO4 — CID 114900486

IUPAC2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid
SMILESCC(C)(O)CC(C)(C(=O)O)C(=O)NC1CC1
InChIInChI=1S/C11H19NO4/c1-10(2,16)6-11(3,9(14)15)8(13)12-7-4-5-7/h7,16H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyQMMKQCYHIDUPIC-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.52
Rot. Bonds5

About 2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid

2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid (PubChem CID 114900486) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid
PubChem CID114900486
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid
SMILESCC(C)(O)CC(C)(C(=O)O)C(=O)NC1CC1
InChIInChI=1S/C11H19NO4/c1-10(2,16)6-11(3,9(14)15)8(13)12-7-4-5-7/h7,16H,4-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyQMMKQCYHIDUPIC-UHFFFAOYSA-N
XLogP0.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.52
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)-2-methylpentanoic acid
CID 114900437
2-(cyclopropylcarbamoyl)-4-hydroxy-2,5,5-trimethylhexanoic acid
CID 114265376
2-(cyclopropylcarbamoyl)-2-methylundecanoic acid
CID 114900288
2-(cyclopropylcarbamoyl)-2-methyl-4-propoxybutanoic acid
CID 106460149
2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid
CID 114900368
3-(cyclopropylamino)-2-methyl-3-oxo-2-(oxolan-2-ylmethyl)propanoic acid
CID 114900280
3-(cyclopropylamino)-2-methyl-3-oxo-2-[(4-propan-2-ylphenyl)methyl]propanoic acid
CID 114900279
3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid
CID 114900382
2-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 114900410
2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid
CID 106993165
4-(4-bromophenoxy)-2-(cyclopropylcarbamoyl)-2-methylbutanoic acid
CID 114900440
N-(4-ethylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 103429662

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid?
The IUPAC name of 2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid (CID 114900486) is 2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid is CC(C)(O)CC(C)(C(=O)O)C(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid?
The InChIKey is QMMKQCYHIDUPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2,16)6-11(3,9(14)15)8(13)12-7-4-5-7/h7,16H,4-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid?
2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid is sourced from PubChem (CID 114900486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).