ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate

C9H19NO5 — CID 23243813

IUPACethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate
SMILESCCOC(=O)CCOCC(N)(CO)CO
InChIInChI=1S/C9H19NO5/c1-2-15-8(13)3-4-14-7-9(10,5-11)6-12/h11-12H,2-7,10H2,1H3
InChIKeyVSEQJYVTOMBHAO-UHFFFAOYSA-N
MW221.25 g/mol
LogP-1.36
Rot. Bonds8

About ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate

ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate (PubChem CID 23243813) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate
PubChem CID23243813
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Nameethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate
SMILESCCOC(=O)CCOCC(N)(CO)CO
InChIInChI=1S/C9H19NO5/c1-2-15-8(13)3-4-14-7-9(10,5-11)6-12/h11-12H,2-7,10H2,1H3
InChIKeyVSEQJYVTOMBHAO-UHFFFAOYSA-N
XLogP-1.36
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-hydroxyethoxy)propanoate
CID 22394031
ethyl 3-[2-amino-2,3-bis(3-ethoxy-3-oxopropoxy)propoxy]propanoate
CID 101074455
2-amino-2-(ethoxymethyl)propane-1,3-diol;tetrahydrochloride
CID 173373234
ethyl 3-carbamoyloxypropanoate
CID 175485814
ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
CID 158132975
ethyl 3-but-3-enoxypropanoate
CID 43174166
ethyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;ethyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methane
CID 161148650
ethyl 3-pent-4-enoxypropanoate
CID 79113239
ethyl 3-(dihydroxyamino)oxypropanoate
CID 88938903
ethyl 3-hydroxypropanoate
CID 160663371
hydrazinyl 3-(2-ethoxyethoxy)propanoate
CID 66338748
tert-butyl 3-(2-amino-3-hydroxy-2-methylpropoxy)propanoate
CID 170151294

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate?
The IUPAC name of ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate (CID 23243813) is ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate.
What is the SMILES notation for ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate?
The canonical SMILES for ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate is CCOC(=O)CCOCC(N)(CO)CO.
What is the InChIKey of ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate?
The InChIKey is VSEQJYVTOMBHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5/c1-2-15-8(13)3-4-14-7-9(10,5-11)6-12/h11-12H,2-7,10H2,1H3.
What are the key properties of ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate?
ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate has a molecular weight of 221.25 g/mol, XLogP of -1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-amino-3-hydroxy-2-(hydroxymethyl)propoxy]propanoate is sourced from PubChem (CID 23243813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).