4-(ethylamino)-2-hydroxy-2-methylbutanoic acid

C7H15NO3 — CID 71603959

IUPAC4-(ethylamino)-2-hydroxy-2-methylbutanoic acid
SMILESCCNCCC(C)(O)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-8-5-4-7(2,11)6(9)10/h8,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyFFXABJBNEZEZCE-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.18
Rot. Bonds5

About 4-(ethylamino)-2-hydroxy-2-methylbutanoic acid

4-(ethylamino)-2-hydroxy-2-methylbutanoic acid (PubChem CID 71603959) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-(ethylamino)-2-hydroxy-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(ethylamino)-2-hydroxy-2-methylbutanoic acid
PubChem CID71603959
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name4-(ethylamino)-2-hydroxy-2-methylbutanoic acid
SMILESCCNCCC(C)(O)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-8-5-4-7(2,11)6(9)10/h8,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyFFXABJBNEZEZCE-UHFFFAOYSA-N
XLogP-0.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxypiperidine-4-carboxylic acid--hydrogen chloride (1/1)
CID 53399214
3-Hydroxypyrrolidine-3-carboxylic acid hydrochloride
CID 70607496
4-hydroxypiperidine-4-carboxylic Acid
CID 4437198
3-Hydroxypyrrolidine-3-carboxylic acid
CID 20448329
4-(Dimethylamino)-2-hydroxy-2-methylbutanoic acid
CID 91264744
4-Hydroxypiperidin-1-ium-4-carboxylate
CID 40521320
2-Hydroxy-4-(methylamino)butanoic acid
CID 55287472
(2S)-1-hydroxy-4-(methylamino)-1-oxobutan-2-olate
CID 58730427
(2S)-2-hydroxy-4-(methylamino)butanoic acid
CID 58730428
2-(Ethylaminomethyl)-2-hydroxybutanoic acid
CID 88670501
Ethyl 4-(ethylamino)-2-hydroxy-2-methylbutanoate
CID 89630671
2-Hydroperoxy-4-(propylamino)butanoic acid
CID 91367847

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-hydroxy-2-methylbutanoic acid?
The IUPAC name of 4-(ethylamino)-2-hydroxy-2-methylbutanoic acid (CID 71603959) is 4-(ethylamino)-2-hydroxy-2-methylbutanoic acid.
What is the SMILES notation for 4-(ethylamino)-2-hydroxy-2-methylbutanoic acid?
The canonical SMILES for 4-(ethylamino)-2-hydroxy-2-methylbutanoic acid is CCNCCC(C)(O)C(=O)O.
What is the InChIKey of 4-(ethylamino)-2-hydroxy-2-methylbutanoic acid?
The InChIKey is FFXABJBNEZEZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-8-5-4-7(2,11)6(9)10/h8,11H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 4-(ethylamino)-2-hydroxy-2-methylbutanoic acid?
4-(ethylamino)-2-hydroxy-2-methylbutanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-hydroxy-2-methylbutanoic acid is sourced from PubChem (CID 71603959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).