2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid

C13H23NO6 — CID 106993165

IUPAC2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid
SMILESCOCCOCC(O)CC(C)(C(=O)O)C(=O)NC1CC1
InChIInChI=1S/C13H23NO6/c1-13(12(17)18,11(16)14-9-3-4-9)7-10(15)8-20-6-5-19-2/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyOJQGLYJNAIFMGS-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.23
Rot. Bonds10

About 2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid

2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid (PubChem CID 106993165) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid
PubChem CID106993165
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Name2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid
SMILESCOCCOCC(O)CC(C)(C(=O)O)C(=O)NC1CC1
InChIInChI=1S/C13H23NO6/c1-13(12(17)18,11(16)14-9-3-4-9)7-10(15)8-20-6-5-19-2/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyOJQGLYJNAIFMGS-UHFFFAOYSA-N
XLogP-0.23
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid
CID 106993163
2-(cyclopropylcarbamoyl)-4-hydroxy-2,5,5-trimethylhexanoic acid
CID 114265376
2-(cyclopropylcarbamoyl)-5,5,5-trifluoro-4-hydroxy-2-methylpentanoic acid
CID 114900368
2-(cyclopropylcarbamoyl)-2-methyl-4-propoxybutanoic acid
CID 106460149
2-(cyclopropylcarbamoyl)-2-methylpentanoic acid
CID 114900437
2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid
CID 114900486
4-(4-bromophenoxy)-2-(cyclopropylcarbamoyl)-2-methylbutanoic acid
CID 114900440
2-(cyclopropylcarbamoyl)-2-methylundecanoic acid
CID 114900288
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108957380
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
3-(cyclopropylamino)-2-methyl-3-oxo-2-[(4-propan-2-ylphenyl)methyl]propanoic acid
CID 114900279

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid?
The IUPAC name of 2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid (CID 106993165) is 2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid.
What is the SMILES notation for 2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid?
The canonical SMILES for 2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid is COCCOCC(O)CC(C)(C(=O)O)C(=O)NC1CC1.
What is the InChIKey of 2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid?
The InChIKey is OJQGLYJNAIFMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO6/c1-13(12(17)18,11(16)14-9-3-4-9)7-10(15)8-20-6-5-19-2/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid?
2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid has a molecular weight of 289.33 g/mol, XLogP of -0.23, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid is sourced from PubChem (CID 106993165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).