ethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate

C12H25NO5 — CID 54937895

IUPACethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate
SMILESCCOC(=O)CNCC(O)COCCOC(C)C
InChIInChI=1S/C12H25NO5/c1-4-17-12(15)8-13-7-11(14)9-16-5-6-18-10(2)3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyZYPJUPRYMVXOPT-UHFFFAOYSA-N
MW263.33 g/mol
LogP-0.06
Rot. Bonds11

About ethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate

ethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate (PubChem CID 54937895) has the molecular formula C12H25NO5 and a molecular weight of 263.33 g/mol. Its IUPAC name is ethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate
PubChem CID54937895
Molecular FormulaC12H25NO5
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Nameethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate
SMILESCCOC(=O)CNCC(O)COCCOC(C)C
InChIInChI=1S/C12H25NO5/c1-4-17-12(15)8-13-7-11(14)9-16-5-6-18-10(2)3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyZYPJUPRYMVXOPT-UHFFFAOYSA-N
XLogP-0.06
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate (CID 54937895) is ethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate is CCOC(=O)CNCC(O)COCCOC(C)C.
What is the InChIKey of ethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate?
The InChIKey is ZYPJUPRYMVXOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO5/c1-4-17-12(15)8-13-7-11(14)9-16-5-6-18-10(2)3/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate?
ethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate has a molecular weight of 263.33 g/mol, XLogP of -0.06, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate is sourced from PubChem (CID 54937895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).