[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate

C5H11NO5 — CID 130273883

IUPAC[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate
SMILESNC(CO)(CO)COC(=O)O
InChIInChI=1S/C5H11NO5/c6-5(1-7,2-8)3-11-4(9)10/h7-8H,1-3,6H2,(H,9,10)
InChIKeyAOVLLQBOTKRULB-UHFFFAOYSA-N
MW165.14 g/mol
LogP-1.64
Rot. Bonds4

About [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate

[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate (PubChem CID 130273883) has the molecular formula C5H11NO5 and a molecular weight of 165.14 g/mol. Its IUPAC name is [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate.

Molecular Properties

Compound Name[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate
PubChem CID130273883
Molecular FormulaC5H11NO5
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate
SMILESNC(CO)(CO)COC(=O)O
InChIInChI=1S/C5H11NO5/c6-5(1-7,2-8)3-11-4(9)10/h7-8H,1-3,6H2,(H,9,10)
InChIKeyAOVLLQBOTKRULB-UHFFFAOYSA-N
XLogP-1.64
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate?
The IUPAC name of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate (CID 130273883) is [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate.
What is the SMILES notation for [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate?
The canonical SMILES for [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate is NC(CO)(CO)COC(=O)O.
What is the InChIKey of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate?
The InChIKey is AOVLLQBOTKRULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5/c6-5(1-7,2-8)3-11-4(9)10/h7-8H,1-3,6H2,(H,9,10).
What are the key properties of [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate?
[2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate has a molecular weight of 165.14 g/mol, XLogP of -1.64, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen carbonate is sourced from PubChem (CID 130273883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).