ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate

C11H21NO4 — CID 106100665

IUPACethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
SMILESCCOC(=O)CC(C)NCC1(O)CCOC1
InChIInChI=1S/C11H21NO4/c1-3-16-10(13)6-9(2)12-7-11(14)4-5-15-8-11/h9,12,14H,3-8H2,1-2H3
InChIKeyOWMALXAEGCNESB-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.07
Rot. Bonds6

About ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate

ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate (PubChem CID 106100665) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate.

Molecular Properties

Compound Nameethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
PubChem CID106100665
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
SMILESCCOC(=O)CC(C)NCC1(O)CCOC1
InChIInChI=1S/C11H21NO4/c1-3-16-10(13)6-9(2)12-7-11(14)4-5-15-8-11/h9,12,14H,3-8H2,1-2H3
InChIKeyOWMALXAEGCNESB-UHFFFAOYSA-N
XLogP0.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(3-hydroxyoxolan-3-yl)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 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122002
methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100069
methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate
CID 106100572
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375
3-[(heptan-2-ylamino)methyl]oxolan-3-ol
CID 115896429
ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate
CID 115454875
ethyl 3-(3-hydroxyoxan-3-yl)propanoate
CID 66322542
(3R)-N-(4-fluorophenyl)-3-[[(3S)-3-hydroxyoxolan-3-yl]methylamino]butanamide
CID 97108242
2-[(3-hydroxyoxolan-3-yl)methylamino]-N,N-dimethylpropanamide
CID 106100495
methyl 2-[(4-hydroxyoxan-4-yl)methylamino]butanoate
CID 115353524
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
ethyl 3-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanoate
CID 114950204

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate?
The IUPAC name of ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate (CID 106100665) is ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate.
What is the SMILES notation for ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate?
The canonical SMILES for ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate is CCOC(=O)CC(C)NCC1(O)CCOC1.
What is the InChIKey of ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate?
The InChIKey is OWMALXAEGCNESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-16-10(13)6-9(2)12-7-11(14)4-5-15-8-11/h9,12,14H,3-8H2,1-2H3.
What are the key properties of ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate?
ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate has a molecular weight of 231.29 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate is sourced from PubChem (CID 106100665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).