2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate

C8H15NO5 — CID 59713219

IUPAC2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate
SMILESCC(=O)C(=O)OCCNCC(O)CO
InChIInChI=1S/C8H15NO5/c1-6(11)8(13)14-3-2-9-4-7(12)5-10/h7,9-10,12H,2-5H2,1H3
InChIKeyOYWZKNRNKYDATR-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.94
Rot. Bonds7

About 2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate

2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate (PubChem CID 59713219) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate
PubChem CID59713219
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate
SMILESCC(=O)C(=O)OCCNCC(O)CO
InChIInChI=1S/C8H15NO5/c1-6(11)8(13)14-3-2-9-4-7(12)5-10/h7,9-10,12H,2-5H2,1H3
InChIKeyOYWZKNRNKYDATR-UHFFFAOYSA-N
XLogP-1.94
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate?
The IUPAC name of 2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate (CID 59713219) is 2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate is CC(=O)C(=O)OCCNCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate?
The InChIKey is OYWZKNRNKYDATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-6(11)8(13)14-3-2-9-4-7(12)5-10/h7,9-10,12H,2-5H2,1H3.
What are the key properties of 2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate?
2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate has a molecular weight of 205.21 g/mol, XLogP of -1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylamino)ethyl 2-oxopropanoate is sourced from PubChem (CID 59713219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).