[(2-ethyl-2-hydroxybutanoyl)amino] acetate

C8H15NO4 — CID 141014595

IUPAC[(2-ethyl-2-hydroxybutanoyl)amino] acetate
SMILESCCC(O)(CC)C(=O)NOC(C)=O
InChIInChI=1S/C8H15NO4/c1-4-8(12,5-2)7(11)9-13-6(3)10/h12H,4-5H2,1-3H3,(H,9,11)
InChIKeyAPYIUTAQHVKMCB-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.13
Rot. Bonds3

About [(2-ethyl-2-hydroxybutanoyl)amino] acetate

[(2-ethyl-2-hydroxybutanoyl)amino] acetate (PubChem CID 141014595) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is [(2-ethyl-2-hydroxybutanoyl)amino] acetate.

Molecular Properties

Compound Name[(2-ethyl-2-hydroxybutanoyl)amino] acetate
PubChem CID141014595
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name[(2-ethyl-2-hydroxybutanoyl)amino] acetate
SMILESCCC(O)(CC)C(=O)NOC(C)=O
InChIInChI=1S/C8H15NO4/c1-4-8(12,5-2)7(11)9-13-6(3)10/h12H,4-5H2,1-3H3,(H,9,11)
InChIKeyAPYIUTAQHVKMCB-UHFFFAOYSA-N
XLogP0.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2-ethyl-2-hydroxybutanoyl)amino] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(acetyloxyamino)-4-oxobutanoic acid
CID 139972378
hydrazinyl acetate;hydrochloride
CID 172840590
ethyl acetate;oxoplatinum
CID 158371854
hydrazinyl acetate;dihydrochloride
CID 118876353
methyl acetate;titanium
CID 87665287
ethyl 3-oxobutanoate;tris(2-methylpropan-2-ol);titanium
CID 22483735
(2-ethyl-2-hydroxypentyl) acetate
CID 88749584
ethyl (2R)-2-(bromomethyl)-2-hydroxybutanoate
CID 57342581
2,2-difluorobutyl acetate
CID 58275605
(2-aminoethylamino) acetate;hydrochloride
CID 174583759
(2-aminoethylamino) acetate;chromium
CID 88783044
benzene;methoxymethane;methyl acetate;propane
CID 158395131

Frequently Asked Questions

What is the IUPAC name of [(2-ethyl-2-hydroxybutanoyl)amino] acetate?
The IUPAC name of [(2-ethyl-2-hydroxybutanoyl)amino] acetate (CID 141014595) is [(2-ethyl-2-hydroxybutanoyl)amino] acetate.
What is the SMILES notation for [(2-ethyl-2-hydroxybutanoyl)amino] acetate?
The canonical SMILES for [(2-ethyl-2-hydroxybutanoyl)amino] acetate is CCC(O)(CC)C(=O)NOC(C)=O.
What is the InChIKey of [(2-ethyl-2-hydroxybutanoyl)amino] acetate?
The InChIKey is APYIUTAQHVKMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-4-8(12,5-2)7(11)9-13-6(3)10/h12H,4-5H2,1-3H3,(H,9,11).
What are the key properties of [(2-ethyl-2-hydroxybutanoyl)amino] acetate?
[(2-ethyl-2-hydroxybutanoyl)amino] acetate has a molecular weight of 189.21 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-ethyl-2-hydroxybutanoyl)amino] acetate is sourced from PubChem (CID 141014595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).