2-hexoxyethyl 2-aminopropanoate;hydrochloride

C11H24ClNO3 — CID 74957486

IUPAC2-hexoxyethyl 2-aminopropanoate;hydrochloride
SMILESCCCCCCOCCOC(=O)C(C)N.Cl
InChIInChI=1S/C11H23NO3.ClH/c1-3-4-5-6-7-14-8-9-15-11(13)10(2)12;/h10H,3-9,12H2,1-2H3;1H
InChIKeyNVRXVSRDKAMCDD-UHFFFAOYSA-N
MW253.77 g/mol
LogP1.90
Rot. Bonds9

About 2-hexoxyethyl 2-aminopropanoate;hydrochloride

2-hexoxyethyl 2-aminopropanoate;hydrochloride (PubChem CID 74957486) has the molecular formula C11H24ClNO3 and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-hexoxyethyl 2-aminopropanoate;hydrochloride.

Molecular Properties

Compound Name2-hexoxyethyl 2-aminopropanoate;hydrochloride
PubChem CID74957486
Molecular FormulaC11H24ClNO3
Molecular Weight253.77 g/mol
Exact Mass253.14
IUPAC Name2-hexoxyethyl 2-aminopropanoate;hydrochloride
SMILESCCCCCCOCCOC(=O)C(C)N.Cl
InChIInChI=1S/C11H23NO3.ClH/c1-3-4-5-6-7-14-8-9-15-11(13)10(2)12;/h10H,3-9,12H2,1-2H3;1H
InChIKeyNVRXVSRDKAMCDD-UHFFFAOYSA-N
XLogP1.90
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dodecyl (2R)-2-aminopropanoate;hydrochloride
CID 156902416
heptyl 2-aminopropanoate
CID 14657662
heptadecyl (2S)-2-aminopropanoate
CID 122384608
2-hexoxyethyl 2-methylpropanoate
CID 88618751
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate
CID 56949346
2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate
CID 122514665
sodium;hexadecyl (2S)-2-aminopropanoate;hydride
CID 174388601
dodecyl (2S)-2-aminopropanoate;oxalic acid
CID 88810980
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
2-(2-decoxyethoxy)ethyl acetate
CID 526732
2-butoxyethyl (2R)-2-amino-3-methylbutanoate
CID 79009790
2-(2-butoxyethoxy)ethyl hexyl carbonate
CID 87247659

Frequently Asked Questions

What is the IUPAC name of 2-hexoxyethyl 2-aminopropanoate;hydrochloride?
The IUPAC name of 2-hexoxyethyl 2-aminopropanoate;hydrochloride (CID 74957486) is 2-hexoxyethyl 2-aminopropanoate;hydrochloride.
What is the SMILES notation for 2-hexoxyethyl 2-aminopropanoate;hydrochloride?
The canonical SMILES for 2-hexoxyethyl 2-aminopropanoate;hydrochloride is CCCCCCOCCOC(=O)C(C)N.Cl.
What is the InChIKey of 2-hexoxyethyl 2-aminopropanoate;hydrochloride?
The InChIKey is NVRXVSRDKAMCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3.ClH/c1-3-4-5-6-7-14-8-9-15-11(13)10(2)12;/h10H,3-9,12H2,1-2H3;1H.
What are the key properties of 2-hexoxyethyl 2-aminopropanoate;hydrochloride?
2-hexoxyethyl 2-aminopropanoate;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxyethyl 2-aminopropanoate;hydrochloride is sourced from PubChem (CID 74957486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).