2-(2-hydroxyethylamino)ethyl hydrogen carbonate

C5H11NO4 — CID 23179916

IUPAC2-(2-hydroxyethylamino)ethyl hydrogen carbonate
SMILESO=C(O)OCCNCCO
InChIInChI=1S/C5H11NO4/c7-3-1-6-2-4-10-5(8)9/h6-7H,1-4H2,(H,8,9)
InChIKeyIWZMFWWVXMZSBR-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.74
Rot. Bonds5

About 2-(2-hydroxyethylamino)ethyl hydrogen carbonate

2-(2-hydroxyethylamino)ethyl hydrogen carbonate (PubChem CID 23179916) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethyl hydrogen carbonate.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethyl hydrogen carbonate
PubChem CID23179916
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name2-(2-hydroxyethylamino)ethyl hydrogen carbonate
SMILESO=C(O)OCCNCCO
InChIInChI=1S/C5H11NO4/c7-3-1-6-2-4-10-5(8)9/h6-7H,1-4H2,(H,8,9)
InChIKeyIWZMFWWVXMZSBR-UHFFFAOYSA-N
XLogP-0.74
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethyl hydrogen carbonate?
The IUPAC name of 2-(2-hydroxyethylamino)ethyl hydrogen carbonate (CID 23179916) is 2-(2-hydroxyethylamino)ethyl hydrogen carbonate.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethyl hydrogen carbonate?
The canonical SMILES for 2-(2-hydroxyethylamino)ethyl hydrogen carbonate is O=C(O)OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethyl hydrogen carbonate?
The InChIKey is IWZMFWWVXMZSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c7-3-1-6-2-4-10-5(8)9/h6-7H,1-4H2,(H,8,9).
What are the key properties of 2-(2-hydroxyethylamino)ethyl hydrogen carbonate?
2-(2-hydroxyethylamino)ethyl hydrogen carbonate has a molecular weight of 149.15 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethyl hydrogen carbonate is sourced from PubChem (CID 23179916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).