2-(ethoxycarbonylamino)ethyl hydrogen carbonate

C6H11NO5 — CID 19359256

IUPAC2-(ethoxycarbonylamino)ethyl hydrogen carbonate
SMILESCCOC(=O)NCCOC(=O)O
InChIInChI=1S/C6H11NO5/c1-2-11-5(8)7-3-4-12-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyGOKHDJUTQULRSX-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.43
Rot. Bonds4

About 2-(ethoxycarbonylamino)ethyl hydrogen carbonate

2-(ethoxycarbonylamino)ethyl hydrogen carbonate (PubChem CID 19359256) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-(ethoxycarbonylamino)ethyl hydrogen carbonate.

Molecular Properties

Compound Name2-(ethoxycarbonylamino)ethyl hydrogen carbonate
PubChem CID19359256
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name2-(ethoxycarbonylamino)ethyl hydrogen carbonate
SMILESCCOC(=O)NCCOC(=O)O
InChIInChI=1S/C6H11NO5/c1-2-11-5(8)7-3-4-12-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
InChIKeyGOKHDJUTQULRSX-UHFFFAOYSA-N
XLogP0.43
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.43
H-Bond Donors ≤ 52
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-(ethoxycarbonylamino)ethyl hydrogen carbonate?
The IUPAC name of 2-(ethoxycarbonylamino)ethyl hydrogen carbonate (CID 19359256) is 2-(ethoxycarbonylamino)ethyl hydrogen carbonate.
What is the SMILES notation for 2-(ethoxycarbonylamino)ethyl hydrogen carbonate?
The canonical SMILES for 2-(ethoxycarbonylamino)ethyl hydrogen carbonate is CCOC(=O)NCCOC(=O)O.
What is the InChIKey of 2-(ethoxycarbonylamino)ethyl hydrogen carbonate?
The InChIKey is GOKHDJUTQULRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5/c1-2-11-5(8)7-3-4-12-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-(ethoxycarbonylamino)ethyl hydrogen carbonate?
2-(ethoxycarbonylamino)ethyl hydrogen carbonate has a molecular weight of 177.16 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxycarbonylamino)ethyl hydrogen carbonate is sourced from PubChem (CID 19359256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).