2-carbamoyl-4-ethoxy-2-methylbutanoic acid

C8H15NO4 — CID 114899702

IUPAC2-carbamoyl-4-ethoxy-2-methylbutanoic acid
SMILESCCOCCC(C)(C(N)=O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-3-13-5-4-8(2,6(9)10)7(11)12/h3-5H2,1-2H3,(H2,9,10)(H,11,12)
InChIKeyROGJTAGEDOECAW-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.01
Rot. Bonds6

About 2-carbamoyl-4-ethoxy-2-methylbutanoic acid

2-carbamoyl-4-ethoxy-2-methylbutanoic acid (PubChem CID 114899702) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-carbamoyl-4-ethoxy-2-methylbutanoic acid.

Molecular Properties

Compound Name2-carbamoyl-4-ethoxy-2-methylbutanoic acid
PubChem CID114899702
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-carbamoyl-4-ethoxy-2-methylbutanoic acid
SMILESCCOCCC(C)(C(N)=O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-3-13-5-4-8(2,6(9)10)7(11)12/h3-5H2,1-2H3,(H2,9,10)(H,11,12)
InChIKeyROGJTAGEDOECAW-UHFFFAOYSA-N
XLogP-0.01
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.01
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

4-ethoxy-2-methyl-2-(methylcarbamoyl)butanoic acid
CID 114899987
2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid
CID 114899712
bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate
CID 101278782
2-(2-ethoxy-2-oxoethyl)-2-methylpropanedioic acid
CID 174526712
2-carbamoyl-8-hydroxy-2-methyloctanoic acid
CID 107708146
2-carbamoyl-2-methylhex-5-enoic acid
CID 114899922
3-amino-2-(cyclopropylmethoxymethyl)-2-methyl-3-oxopropanoic acid
CID 106931571
2-ethoxycarbonyl-4-fluoro-2-methylbutanoic acid
CID 103973740
1,5-diethoxy-3-methylpentan-3-amine
CID 91552736
2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid
CID 169225729
4-(2-hydroxyethoxy)-2-methoxycarbonyl-2-methylbutanoic acid
CID 114899523
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-4-ethoxy-2-methylbutanoic acid?
The IUPAC name of 2-carbamoyl-4-ethoxy-2-methylbutanoic acid (CID 114899702) is 2-carbamoyl-4-ethoxy-2-methylbutanoic acid.
What is the SMILES notation for 2-carbamoyl-4-ethoxy-2-methylbutanoic acid?
The canonical SMILES for 2-carbamoyl-4-ethoxy-2-methylbutanoic acid is CCOCCC(C)(C(N)=O)C(=O)O.
What is the InChIKey of 2-carbamoyl-4-ethoxy-2-methylbutanoic acid?
The InChIKey is ROGJTAGEDOECAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-13-5-4-8(2,6(9)10)7(11)12/h3-5H2,1-2H3,(H2,9,10)(H,11,12).
What are the key properties of 2-carbamoyl-4-ethoxy-2-methylbutanoic acid?
2-carbamoyl-4-ethoxy-2-methylbutanoic acid has a molecular weight of 189.21 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-4-ethoxy-2-methylbutanoic acid is sourced from PubChem (CID 114899702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).