2-propoxyethyl 2-amino-3-hydroxypropanoate

C8H17NO4 — CID 63685229

IUPAC2-propoxyethyl 2-amino-3-hydroxypropanoate
SMILESCCCOCCOC(=O)C(N)CO
InChIInChI=1S/C8H17NO4/c1-2-3-12-4-5-13-8(11)7(9)6-10/h7,10H,2-6,9H2,1H3
InChIKeyUEZAJRWLAUMXKW-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.72
Rot. Bonds7

About 2-propoxyethyl 2-amino-3-hydroxypropanoate

2-propoxyethyl 2-amino-3-hydroxypropanoate (PubChem CID 63685229) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-propoxyethyl 2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Name2-propoxyethyl 2-amino-3-hydroxypropanoate
PubChem CID63685229
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-propoxyethyl 2-amino-3-hydroxypropanoate
SMILESCCCOCCOC(=O)C(N)CO
InChIInChI=1S/C8H17NO4/c1-2-3-12-4-5-13-8(11)7(9)6-10/h7,10H,2-6,9H2,1H3
InChIKeyUEZAJRWLAUMXKW-UHFFFAOYSA-N
XLogP-0.72
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl (2R)-2-amino-3-hydroxypropanoate
CID 55281348
propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 131729419
2-propoxyethyl 2-amino-4-methylpentanoate
CID 63685602
heptyl 2-amino-3-hydroxypropanoate
CID 14657672
2-propoxyethyl 2-amino-3,3-dimethylbutanoate
CID 63687085
dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 146680818
2-propoxyethyl 2-amino-3-methylpentanoate
CID 63684873
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2-amino-4-hydroxybutanoate
CID 104563663
2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate
CID 174781046
2-butoxyethyl (2R)-2-amino-3-sulfanylpropanoate
CID 107774143
2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
CID 177163981
2-(2-methoxyethoxy)ethyl (2R)-2-amino-4-hydroxybutanoate
CID 107825427

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 2-amino-3-hydroxypropanoate?
The IUPAC name of 2-propoxyethyl 2-amino-3-hydroxypropanoate (CID 63685229) is 2-propoxyethyl 2-amino-3-hydroxypropanoate.
What is the SMILES notation for 2-propoxyethyl 2-amino-3-hydroxypropanoate?
The canonical SMILES for 2-propoxyethyl 2-amino-3-hydroxypropanoate is CCCOCCOC(=O)C(N)CO.
What is the InChIKey of 2-propoxyethyl 2-amino-3-hydroxypropanoate?
The InChIKey is UEZAJRWLAUMXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-2-3-12-4-5-13-8(11)7(9)6-10/h7,10H,2-6,9H2,1H3.
What are the key properties of 2-propoxyethyl 2-amino-3-hydroxypropanoate?
2-propoxyethyl 2-amino-3-hydroxypropanoate has a molecular weight of 191.23 g/mol, XLogP of -0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 2-amino-3-hydroxypropanoate is sourced from PubChem (CID 63685229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).