1-hydroxyethyl(2-methoxyethyl)carbamic acid

C6H13NO4 — CID 19018221

IUPAC1-hydroxyethyl(2-methoxyethyl)carbamic acid
SMILESCOCCN(C(=O)O)C(C)O
InChIInChI=1S/C6H13NO4/c1-5(8)7(6(9)10)3-4-11-2/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyCSVPPKKOOYUKLQ-UHFFFAOYSA-N
MW163.17 g/mol
LogP-0.05
Rot. Bonds4

About 1-hydroxyethyl(2-methoxyethyl)carbamic acid

1-hydroxyethyl(2-methoxyethyl)carbamic acid (PubChem CID 19018221) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-hydroxyethyl(2-methoxyethyl)carbamic acid.

Molecular Properties

Compound Name1-hydroxyethyl(2-methoxyethyl)carbamic acid
PubChem CID19018221
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-hydroxyethyl(2-methoxyethyl)carbamic acid
SMILESCOCCN(C(=O)O)C(C)O
InChIInChI=1S/C6H13NO4/c1-5(8)7(6(9)10)3-4-11-2/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyCSVPPKKOOYUKLQ-UHFFFAOYSA-N
XLogP-0.05
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-hydroxyethyl(2-methoxyethyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl(2-methoxyethyl)carbamic acid?
The IUPAC name of 1-hydroxyethyl(2-methoxyethyl)carbamic acid (CID 19018221) is 1-hydroxyethyl(2-methoxyethyl)carbamic acid.
What is the SMILES notation for 1-hydroxyethyl(2-methoxyethyl)carbamic acid?
The canonical SMILES for 1-hydroxyethyl(2-methoxyethyl)carbamic acid is COCCN(C(=O)O)C(C)O.
What is the InChIKey of 1-hydroxyethyl(2-methoxyethyl)carbamic acid?
The InChIKey is CSVPPKKOOYUKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-5(8)7(6(9)10)3-4-11-2/h5,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 1-hydroxyethyl(2-methoxyethyl)carbamic acid?
1-hydroxyethyl(2-methoxyethyl)carbamic acid has a molecular weight of 163.17 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl(2-methoxyethyl)carbamic acid is sourced from PubChem (CID 19018221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).