ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate

C13H25NO4 — CID 114950146

IUPACethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate
SMILESCCOC(=O)CC(O)CN(C)CC1(O)CCCC1
InChIInChI=1S/C13H25NO4/c1-3-18-12(16)8-11(15)9-14(2)10-13(17)6-4-5-7-13/h11,15,17H,3-10H2,1-2H3
InChIKeyLPXPRRZPBTYQHB-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.54
Rot. Bonds7

About ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate

ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate (PubChem CID 114950146) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate
PubChem CID114950146
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nameethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate
SMILESCCOC(=O)CC(O)CN(C)CC1(O)CCCC1
InChIInChI=1S/C13H25NO4/c1-3-18-12(16)8-11(15)9-14(2)10-13(17)6-4-5-7-13/h11,15,17H,3-10H2,1-2H3
InChIKeyLPXPRRZPBTYQHB-UHFFFAOYSA-N
XLogP0.54
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]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 2-amino-3-[(1-hydroxycyclopentyl)methyl-methylamino]-3-oxopropanoate
CID 114949038
1-[[(3-bromo-2-hydroxypropyl)-methylamino]methyl]cyclopentan-1-ol
CID 114952397
ethyl 3-hydroxy-4-[2-hydroxyethyl(methyl)amino]butanoate
CID 82778622
methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate
CID 65213091
ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
CID 115867673
ethyl 3-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 103253206
ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate
CID 115758309
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
CID 104985342
ethyl 4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethyl-3-oxobutanoate
CID 114950453
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 104985327
ethyl 2-[cyclopropyl-[(1-hydroxycyclohexyl)methyl]amino]acetate
CID 65214070
ethyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-hydroxybutanoate
CID 82770373

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate (CID 114950146) is ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate is CCOC(=O)CC(O)CN(C)CC1(O)CCCC1.
What is the InChIKey of ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate?
The InChIKey is LPXPRRZPBTYQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-3-18-12(16)8-11(15)9-14(2)10-13(17)6-4-5-7-13/h11,15,17H,3-10H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate?
ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate has a molecular weight of 259.35 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate is sourced from PubChem (CID 114950146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).