3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid

C13H24N2O5 — CID 122018402

IUPAC3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid
SMILESCCOC1CC(O)(CNC(=O)NCCC(=O)O)C1(C)C
InChIInChI=1S/C13H24N2O5/c1-4-20-9-7-13(19,12(9,2)3)8-15-11(18)14-6-5-10(16)17/h9,19H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyJVRDCMRAOQGLQF-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.33
Rot. Bonds7

About 3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid

3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid (PubChem CID 122018402) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid
PubChem CID122018402
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid
SMILESCCOC1CC(O)(CNC(=O)NCCC(=O)O)C1(C)C
InChIInChI=1S/C13H24N2O5/c1-4-20-9-7-13(19,12(9,2)3)8-15-11(18)14-6-5-10(16)17/h9,19H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyJVRDCMRAOQGLQF-UHFFFAOYSA-N
XLogP0.33
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic 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

N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]-2-methylpropanamide
CID 91662550
N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide
CID 99834377
N-[[(1S,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-1,2-oxazole-3-carboxamide
CID 129401810
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methyl]acetamide
CID 146090058
(E)-N-[[(1R,3S)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]-3-(5-methyl-3-pyridinyl)prop-2-enamide
CID 129401802
3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
CID 122005372
3-[(1-hydroxy-2-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 122018869
3-[(3-ethoxy-7-oxaspiro[3.5]nonan-1-yl)carbamoylamino]propanoic acid
CID 122010375
cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 99826718
3-ethoxy-2,2-dimethyl-1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 91652073
3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
CID 122010715
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid (CID 122018402) is 3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid is CCOC1CC(O)(CNC(=O)NCCC(=O)O)C1(C)C.
What is the InChIKey of 3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid?
The InChIKey is JVRDCMRAOQGLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-4-20-9-7-13(19,12(9,2)3)8-15-11(18)14-6-5-10(16)17/h9,19H,4-8H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid?
3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.33, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 122018402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).