ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate

C10H19NO4 — CID 103255881

IUPACethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate
SMILESCCOC(=O)CC(O)CNC1CC(O)C1
InChIInChI=1S/C10H19NO4/c1-2-15-10(14)5-9(13)6-11-7-3-8(12)4-7/h7-9,11-13H,2-6H2,1H3
InChIKeyPSOMSWJQVNBUCP-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.59
Rot. Bonds6

About ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate

ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate (PubChem CID 103255881) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate
PubChem CID103255881
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate
SMILESCCOC(=O)CC(O)CNC1CC(O)C1
InChIInChI=1S/C10H19NO4/c1-2-15-10(14)5-9(13)6-11-7-3-8(12)4-7/h7-9,11-13H,2-6H2,1H3
InChIKeyPSOMSWJQVNBUCP-UHFFFAOYSA-N
XLogP-0.59
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate 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

ethyl 3-hydroxy-4-[(5-oxopyrrolidin-3-yl)amino]butanoate
CID 106190615
ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate
CID 103261980
ethyl 3-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanoate
CID 103255113
3-[(3-hydroxycyclobutyl)amino]propane-1,2-diol
CID 77109946
ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate
CID 103268251
ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
CID 103251512
ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate
CID 103263974
ethyl 2-[3-(cyclopropylamino)-2-hydroxypropyl]sulfonylacetate
CID 113317953
ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate
CID 103248566
ethyl 4-(1-cyclopropylpropan-2-ylamino)-3-hydroxybutanoate
CID 103251140
ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
CID 103235295
methyl 3-hydroxy-4-(oxan-4-ylamino)butanoate
CID 115123249

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate (CID 103255881) is ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate is CCOC(=O)CC(O)CNC1CC(O)C1.
What is the InChIKey of ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate?
The InChIKey is PSOMSWJQVNBUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-15-10(14)5-9(13)6-11-7-3-8(12)4-7/h7-9,11-13H,2-6H2,1H3.
What are the key properties of ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate?
ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate has a molecular weight of 217.26 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[(3-hydroxycyclobutyl)amino]butanoate is sourced from PubChem (CID 103255881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).