2-hydroxyethyl(2-methoxyethyl)carbamic acid

C6H13NO4 — CID 57114181

IUPAC2-hydroxyethyl(2-methoxyethyl)carbamic acid
SMILESCOCCN(CCO)C(=O)O
InChIInChI=1S/C6H13NO4/c1-11-5-3-7(2-4-8)6(9)10/h8H,2-5H2,1H3,(H,9,10)
InChIKeyBFJUCNOYVTZHBY-UHFFFAOYSA-N
MW163.17 g/mol
LogP-0.39
Rot. Bonds5

About 2-hydroxyethyl(2-methoxyethyl)carbamic acid

2-hydroxyethyl(2-methoxyethyl)carbamic acid (PubChem CID 57114181) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-hydroxyethyl(2-methoxyethyl)carbamic acid.

Molecular Properties

Compound Name2-hydroxyethyl(2-methoxyethyl)carbamic acid
PubChem CID57114181
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-hydroxyethyl(2-methoxyethyl)carbamic acid
SMILESCOCCN(CCO)C(=O)O
InChIInChI=1S/C6H13NO4/c1-11-5-3-7(2-4-8)6(9)10/h8H,2-5H2,1H3,(H,9,10)
InChIKeyBFJUCNOYVTZHBY-UHFFFAOYSA-N
XLogP-0.39
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(2-methoxyethyl)carbamic acid?
The IUPAC name of 2-hydroxyethyl(2-methoxyethyl)carbamic acid (CID 57114181) is 2-hydroxyethyl(2-methoxyethyl)carbamic acid.
What is the SMILES notation for 2-hydroxyethyl(2-methoxyethyl)carbamic acid?
The canonical SMILES for 2-hydroxyethyl(2-methoxyethyl)carbamic acid is COCCN(CCO)C(=O)O.
What is the InChIKey of 2-hydroxyethyl(2-methoxyethyl)carbamic acid?
The InChIKey is BFJUCNOYVTZHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-11-5-3-7(2-4-8)6(9)10/h8H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-hydroxyethyl(2-methoxyethyl)carbamic acid?
2-hydroxyethyl(2-methoxyethyl)carbamic acid has a molecular weight of 163.17 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(2-methoxyethyl)carbamic acid is sourced from PubChem (CID 57114181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).