ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate

C12H23NO4 — CID 82769885

IUPACethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate
SMILESCCOC(=O)CC(O)CN(C)C1CCOC1C
InChIInChI=1S/C12H23NO4/c1-4-16-12(15)7-10(14)8-13(3)11-5-6-17-9(11)2/h9-11,14H,4-8H2,1-3H3
InChIKeyCOBOLVZPHPUKMF-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.41
Rot. Bonds6

About ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate

ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate (PubChem CID 82769885) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate
PubChem CID82769885
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nameethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate
SMILESCCOC(=O)CC(O)CN(C)C1CCOC1C
InChIInChI=1S/C12H23NO4/c1-4-16-12(15)7-10(14)8-13(3)11-5-6-17-9(11)2/h9-11,14H,4-8H2,1-3H3
InChIKeyCOBOLVZPHPUKMF-UHFFFAOYSA-N
XLogP0.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethoxy-3-[methyl-(2-methyloxolan-3-yl)amino]propan-2-ol
CID 82748351
ethyl 3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoate
CID 82776528
1-[methyl-(2-methyloxolan-3-yl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 82734140
2-(ethylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82743952
ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate
CID 83049005
butyl 2-[methyl-(2-methyloxolan-3-yl)amino]acetate
CID 82739857
1-cyclopentyl-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol
CID 104753050
ethyl 2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propan-2-ylamino)butanoate
CID 82731222
3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one
CID 82742069
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82740401
ethyl 2-(2-methyloxolan-3-yl)acetate
CID 118541290

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate (CID 82769885) is ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate is CCOC(=O)CC(O)CN(C)C1CCOC1C.
What is the InChIKey of ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate?
The InChIKey is COBOLVZPHPUKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-4-16-12(15)7-10(14)8-13(3)11-5-6-17-9(11)2/h9-11,14H,4-8H2,1-3H3.
What are the key properties of ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate?
ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate has a molecular weight of 245.32 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate is sourced from PubChem (CID 82769885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).