4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid

C10H21NO3 — CID 65111208

IUPAC4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid
SMILESCCC(O)(CC)CNCCCC(=O)O
InChIInChI=1S/C10H21NO3/c1-3-10(14,4-2)8-11-7-5-6-9(12)13/h11,14H,3-8H2,1-2H3,(H,12,13)
InChIKeyAFQWMLTXEVPIAX-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.99
Rot. Bonds8

About 4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid

4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid (PubChem CID 65111208) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid
PubChem CID65111208
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid
SMILESCCC(O)(CC)CNCCCC(=O)O
InChIInChI=1S/C10H21NO3/c1-3-10(14,4-2)8-11-7-5-6-9(12)13/h11,14H,3-8H2,1-2H3,(H,12,13)
InChIKeyAFQWMLTXEVPIAX-UHFFFAOYSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2-ethyl-2-hydroxybutyl)amino]butanoic 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-[(decylamino)methyl]pentan-3-ol
CID 65111652
4-(3-carboxypropylamino)butanoic acid
CID 4072500
4-[(2-ethyl-2-hydroxybutyl)amino]-N'-hydroxybutanimidamide
CID 77056368
3-[(3-methylsulfonylpropylamino)methyl]pentan-3-ol
CID 65111392
4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid
CID 175848152
3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol
CID 114493463
4-(2,2,4-trimethylpentylamino)butanoic acid
CID 115218817
3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid
CID 79623675
3-[(hex-5-ynylamino)methyl]pentan-3-ol
CID 106211950
3-[(7-methyloctylamino)methyl]pentan-3-ol
CID 107814894
4-(2,2-difluorobutanoylamino)butanoic acid
CID 89018957
4-ethyl-4-hydroxyhexanoic acid
CID 18462839

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid?
The IUPAC name of 4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid (CID 65111208) is 4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid is CCC(O)(CC)CNCCCC(=O)O.
What is the InChIKey of 4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid?
The InChIKey is AFQWMLTXEVPIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-10(14,4-2)8-11-7-5-6-9(12)13/h11,14H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid?
4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid is sourced from PubChem (CID 65111208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).