4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid

C11H21NO6 — CID 106993163

IUPAC4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid
SMILESCNC(=O)C(C)(CC(O)COCCOC)C(=O)O
InChIInChI=1S/C11H21NO6/c1-11(10(15)16,9(14)12-2)6-8(13)7-18-5-4-17-3/h8,13H,4-7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyACXWELMZTWEDMT-UHFFFAOYSA-N
MW263.29 g/mol
LogP-0.76
Rot. Bonds9

About 4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid

4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid (PubChem CID 106993163) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid
PubChem CID106993163
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid
SMILESCNC(=O)C(C)(CC(O)COCCOC)C(=O)O
InChIInChI=1S/C11H21NO6/c1-11(10(15)16,9(14)12-2)6-8(13)7-18-5-4-17-3/h8,13H,4-7H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyACXWELMZTWEDMT-UHFFFAOYSA-N
XLogP-0.76
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-0.76
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

2-(cyclopropylcarbamoyl)-4-hydroxy-5-(2-methoxyethoxy)-2-methylpentanoic acid
CID 106993165
6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid
CID 114900096
2,4-dimethyl-2-(methylcarbamoyl)hexanoic acid
CID 114900056
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
4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid
CID 114899987
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-(methylamino)propanoic acid
CID 104565015
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-3-(2-methoxyethoxy)propan-2-ol
CID 132556170
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid?
The IUPAC name of 4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid (CID 106993163) is 4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid.
What is the SMILES notation for 4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid?
The canonical SMILES for 4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid is CNC(=O)C(C)(CC(O)COCCOC)C(=O)O.
What is the InChIKey of 4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid?
The InChIKey is ACXWELMZTWEDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO6/c1-11(10(15)16,9(14)12-2)6-8(13)7-18-5-4-17-3/h8,13H,4-7H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid?
4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid has a molecular weight of 263.29 g/mol, XLogP of -0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid is sourced from PubChem (CID 106993163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).