2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde

C8H15NO5 — CID 25203965

IUPAC2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde
SMILESO=CCN(CC=O)C(CO)(CO)CO
InChIInChI=1S/C8H15NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h3-4,12-14H,1-2,5-7H2
InChIKeyFHGYDMUJAOLMBZ-UHFFFAOYSA-N
MW205.21 g/mol
LogP-2.60
Rot. Bonds8

About 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde

2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde (PubChem CID 25203965) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde
PubChem CID25203965
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde
SMILESO=CCN(CC=O)C(CO)(CO)CO
InChIInChI=1S/C8H15NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h3-4,12-14H,1-2,5-7H2
InChIKeyFHGYDMUJAOLMBZ-UHFFFAOYSA-N
XLogP-2.60
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde?
The IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde (CID 25203965) is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde.
What is the SMILES notation for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde?
The canonical SMILES for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde is O=CCN(CC=O)C(CO)(CO)CO.
What is the InChIKey of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde?
The InChIKey is FHGYDMUJAOLMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h3-4,12-14H,1-2,5-7H2.
What are the key properties of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde?
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde has a molecular weight of 205.21 g/mol, XLogP of -2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-oxoethyl)amino]acetaldehyde is sourced from PubChem (CID 25203965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).