4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid

C11H19NO4 — CID 103496341

IUPAC4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(CCO)C1CC1
InChIInChI=1S/C11H19NO4/c1-7(8(2)11(15)16)10(14)12(5-6-13)9-3-4-9/h7-9,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyAUWSKVBLHUHGNG-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.33
Rot. Bonds6

About 4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid

4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103496341) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103496341
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(CCO)C1CC1
InChIInChI=1S/C11H19NO4/c1-7(8(2)11(15)16)10(14)12(5-6-13)9-3-4-9/h7-9,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyAUWSKVBLHUHGNG-UHFFFAOYSA-N
XLogP0.33
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic 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

4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497906
4-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107478950
4-[2-Hydroxyethyl(propyl)amino]-4-oxobutanoic acid
CID 20722179
Ethyl 4-[2-hydroxyethyl(propan-2-yl)amino]-4-oxobutanoate
CID 43573775
Ethyl 4-[cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoate
CID 43577366
4-[Cyclopropyl(2-hydroxyethyl)amino]-4-oxobutanoic acid
CID 43578457
4-[(1-Hydroxy-3-methylbutan-2-yl)amino]-4-oxobutanoic acid
CID 79253513
4-[Di(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 85764287
4-[(1,3-Dihydroxy-2-methylpropan-2-yl)-methylamino]-4-oxobutanoic acid
CID 89064000
(3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate
CID 7141962
(3R)-1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 7141963
(3R)-1-[(2R)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylate
CID 7141964

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103496341) is 4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)N(CCO)C1CC1.
What is the InChIKey of 4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is AUWSKVBLHUHGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(8(2)11(15)16)10(14)12(5-6-13)9-3-4-9/h7-9,13H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103496341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).