ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate

C10H19NO4 — CID 66206954

IUPACethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
SMILESCCOC(=O)C(N)C(O)C1CCOCC1
InChIInChI=1S/C10H19NO4/c1-2-15-10(13)8(11)9(12)7-3-5-14-6-4-7/h7-9,12H,2-6,11H2,1H3
InChIKeyLSQUUMZYAXANKT-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.34
Rot. Bonds4

About ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate

ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate (PubChem CID 66206954) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
PubChem CID66206954
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
SMILESCCOC(=O)C(N)C(O)C1CCOCC1
InChIInChI=1S/C10H19NO4/c1-2-15-10(13)8(11)9(12)7-3-5-14-6-4-7/h7-9,12H,2-6,11H2,1H3
InChIKeyLSQUUMZYAXANKT-UHFFFAOYSA-N
XLogP-0.34
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-2-(oxan-4-yl)-3-oxopropanoic acid
CID 103973485
ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate
CID 62396778
ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate
CID 166888475
methyl 2-[hydroxy(oxan-4-yl)methyl]butanoate
CID 62395274
lithium;di(propan-2-yl)azanide;ethyl 2-bromo-2-(oxan-4-yl)acetate
CID 160833087
ethyl 2-formamido-2-(oxan-4-yl)acetate
CID 86612132
ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate
CID 79367296
(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
CID 103833265
3-ethoxy-3-oxo-2-(oxolan-3-yl)propanoic acid
CID 103973494
2-ethoxy-1-(oxan-4-yl)butan-1-ol
CID 116711020
ethyl 2-(4-chlorocyclohexyl)butanoate
CID 174302983
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate (CID 66206954) is ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate is CCOC(=O)C(N)C(O)C1CCOCC1.
What is the InChIKey of ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate?
The InChIKey is LSQUUMZYAXANKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-15-10(13)8(11)9(12)7-3-5-14-6-4-7/h7-9,12H,2-6,11H2,1H3.
What are the key properties of ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate?
ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate has a molecular weight of 217.26 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate is sourced from PubChem (CID 66206954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).