ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate

C12H23NO5 — CID 114143694

IUPACethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNCC1(O)CCOC1C
InChIInChI=1S/C12H23NO5/c1-3-17-11(14)8-16-7-5-13-9-12(15)4-6-18-10(12)2/h10,13,15H,3-9H2,1-2H3
InChIKeyDWRGRVQNUFDHEA-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.30
Rot. Bonds8

About ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate

ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate (PubChem CID 114143694) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate
PubChem CID114143694
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Nameethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNCC1(O)CCOC1C
InChIInChI=1S/C12H23NO5/c1-3-17-11(14)8-16-7-5-13-9-12(15)4-6-18-10(12)2/h10,13,15H,3-9H2,1-2H3
InChIKeyDWRGRVQNUFDHEA-UHFFFAOYSA-N
XLogP-0.30
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate 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

3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanoic acid
CID 106101058
3-[(2-ethylsulfonylethylamino)methyl]-2-methyloxolan-3-ol
CID 106101245
3-[(3,3-diethoxypropylamino)methyl]-2-methyloxolan-3-ol
CID 114143474
methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate
CID 106101091
ethyl 2-[2-[(3-methyloxolan-3-yl)amino]ethoxy]acetate
CID 103265115
4-ethoxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 107302079
ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate
CID 103237731
N-cyclopropyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
CID 106101015
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate
CID 103260351
2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol
CID 107268217
3-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2-methyloxolan-3-ol
CID 106100165

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate (CID 114143694) is ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate is CCOC(=O)COCCNCC1(O)CCOC1C.
What is the InChIKey of ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate?
The InChIKey is DWRGRVQNUFDHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-3-17-11(14)8-16-7-5-13-9-12(15)4-6-18-10(12)2/h10,13,15H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate?
ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate has a molecular weight of 261.32 g/mol, XLogP of -0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate is sourced from PubChem (CID 114143694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).