2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate

C9H19NO4 — CID 167342621

IUPAC2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
SMILESCCOCCOCCOC(=O)[C@H](C)N
InChIInChI=1S/C9H19NO4/c1-3-12-4-5-13-6-7-14-9(11)8(2)10/h8H,3-7,10H2,1-2H3/t8-/m0/s1
InChIKeyRGMBAQJEEWJIRI-QMMMGPOBSA-N
MW205.25 g/mol
LogP-0.07
Rot. Bonds8

About 2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate

2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate (PubChem CID 167342621) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
PubChem CID167342621
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
SMILESCCOCCOCCOC(=O)[C@H](C)N
InChIInChI=1S/C9H19NO4/c1-3-12-4-5-13-6-7-14-9(11)8(2)10/h8H,3-7,10H2,1-2H3/t8-/m0/s1
InChIKeyRGMBAQJEEWJIRI-QMMMGPOBSA-N
XLogP-0.07
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate
CID 131864159
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
2-hexoxyethyl 2-aminopropanoate;hydrochloride
CID 74957486
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
2-ethoxyethyl 2,3,3-trimethylbutanoate
CID 87160003
[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate
CID 131967149
2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate
CID 166669949
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate (CID 167342621) is 2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate is CCOCCOCCOC(=O)[C@H](C)N.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate?
The InChIKey is RGMBAQJEEWJIRI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO4/c1-3-12-4-5-13-6-7-14-9(11)8(2)10/h8H,3-7,10H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate?
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate has a molecular weight of 205.25 g/mol, XLogP of -0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate is sourced from PubChem (CID 167342621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).