3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid

C10H19NO4 — CID 82323422

IUPAC3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
SMILESCCCC(=O)N(CCO)CC(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-3-4-9(13)11(5-6-12)7-8(2)10(14)15/h8,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyPOCMSXGEIAEYED-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.33
Rot. Bonds7

About 3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid

3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid (PubChem CID 82323422) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
PubChem CID82323422
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
SMILESCCCC(=O)N(CCO)CC(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-3-4-9(13)11(5-6-12)7-8(2)10(14)15/h8,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyPOCMSXGEIAEYED-UHFFFAOYSA-N
XLogP0.33
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid 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

3-[butanoyl-[2-(dimethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82323472
3-[butanoyl-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82323456
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
3-[butyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323303
3-[2-carboxyethyl(propanoyl)amino]-2-methylpropanoic acid
CID 82323339
4-[bis(2-hydroxyethyl)amino]-2-methyl-4-oxobutanoic acid
CID 158712183
N-(2-hydroxyethyl)-N-(2-hydroxypropyl)dodecanamide
CID 152732092
N,N'-bis(2-hydroxyethyl)-N,N'-bis(2-hydroxypropyl)hexanediamide
CID 139337163
3-[2-hydroxyethyl-[2-(4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 82325211
3-[2-ethoxyethyl-[3-(2-methylpropoxy)propanoyl]amino]-2-methylpropanoic acid
CID 75383572
2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid
CID 82325138
2-methyl-3-[2-methylpropyl(propanoyl)amino]propanoic acid
CID 82323302

Frequently Asked Questions

What is the IUPAC name of 3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid (CID 82323422) is 3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid is CCCC(=O)N(CCO)CC(C)C(=O)O.
What is the InChIKey of 3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid?
The InChIKey is POCMSXGEIAEYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-4-9(13)11(5-6-12)7-8(2)10(14)15/h8,12H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid?
3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butanoyl(2-hydroxyethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82323422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).