bis(2-methoxyethyl)carbamic acid

C7H15NO4 — CID 22275153

IUPACbis(2-methoxyethyl)carbamic acid
SMILESCOCCN(CCOC)C(=O)O
InChIInChI=1S/C7H15NO4/c1-11-5-3-8(7(9)10)4-6-12-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyULVASGIKFAOQCR-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.26
Rot. Bonds6

About bis(2-methoxyethyl)carbamic acid

bis(2-methoxyethyl)carbamic acid (PubChem CID 22275153) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is bis(2-methoxyethyl)carbamic acid.

Molecular Properties

Compound Namebis(2-methoxyethyl)carbamic acid
PubChem CID22275153
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Namebis(2-methoxyethyl)carbamic acid
SMILESCOCCN(CCOC)C(=O)O
InChIInChI=1S/C7H15NO4/c1-11-5-3-8(7(9)10)4-6-12-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyULVASGIKFAOQCR-UHFFFAOYSA-N
XLogP0.26
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl)carbamic acid?
The IUPAC name of bis(2-methoxyethyl)carbamic acid (CID 22275153) is bis(2-methoxyethyl)carbamic acid.
What is the SMILES notation for bis(2-methoxyethyl)carbamic acid?
The canonical SMILES for bis(2-methoxyethyl)carbamic acid is COCCN(CCOC)C(=O)O.
What is the InChIKey of bis(2-methoxyethyl)carbamic acid?
The InChIKey is ULVASGIKFAOQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-11-5-3-8(7(9)10)4-6-12-2/h3-6H2,1-2H3,(H,9,10).
What are the key properties of bis(2-methoxyethyl)carbamic acid?
bis(2-methoxyethyl)carbamic acid has a molecular weight of 177.20 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl)carbamic acid is sourced from PubChem (CID 22275153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).