4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid

C9H17NO4 — CID 114899987

IUPAC4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid
SMILESCCOCCC(C)(C(=O)O)C(=O)NC
InChIInChI=1S/C9H17NO4/c1-4-14-6-5-9(2,8(12)13)7(11)10-3/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyWOBVIKVXSHOENQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.25
Rot. Bonds6

About 4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid

4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid (PubChem CID 114899987) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid.

Molecular Properties

Compound Name4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid
PubChem CID114899987
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid
SMILESCCOCCC(C)(C(=O)O)C(=O)NC
InChIInChI=1S/C9H17NO4/c1-4-14-6-5-9(2,8(12)13)7(11)10-3/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyWOBVIKVXSHOENQ-UHFFFAOYSA-N
XLogP0.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-carbamoyl-4-ethoxy-2-methylbutanoic acid
CID 114899702
6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid
CID 114900096
5-hydroxy-2,5-dimethyl-2-(methylcarbamoyl)hexanoic acid
CID 114900260
4-(2-hydroxyethoxy)-2-methoxycarbonyl-2-methylbutanoic acid
CID 114899523
2-(cyclopropylcarbamoyl)-2-methyl-4-propoxybutanoic acid
CID 106460149
2-methyl-2-(methylcarbamoyl)-4-propylsulfonylbutanoic acid
CID 106736029
3-(2-ethoxyethylamino)-N,2,2-trimethylpropanamide
CID 106277468
2,4-dimethyl-2-(methylcarbamoyl)hexanoic acid
CID 114900056
4-hydroxy-5-(2-methoxyethoxy)-2-methyl-2-(methylcarbamoyl)pentanoic acid
CID 106993163
5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
CID 106806917
2-ethoxycarbonyl-4-fluoro-2-methylbutanoic acid
CID 103973740
bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate
CID 101278782

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid?
The IUPAC name of 4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid (CID 114899987) is 4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid.
What is the SMILES notation for 4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid?
The canonical SMILES for 4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid is CCOCCC(C)(C(=O)O)C(=O)NC.
What is the InChIKey of 4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid?
The InChIKey is WOBVIKVXSHOENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-14-6-5-9(2,8(12)13)7(11)10-3/h4-6H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid?
4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid is sourced from PubChem (CID 114899987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).