3-(ethylcarbamoyloxy)-2-methylpropanoic acid

C7H13NO4 — CID 54232030

IUPAC3-(ethylcarbamoyloxy)-2-methylpropanoic acid
SMILESCCNC(=O)OCC(C)C(=O)O
InChIInChI=1S/C7H13NO4/c1-3-8-7(11)12-4-5(2)6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10)
InChIKeyQJYPMRJAUSNJGO-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.45
Rot. Bonds4

About 3-(ethylcarbamoyloxy)-2-methylpropanoic acid

3-(ethylcarbamoyloxy)-2-methylpropanoic acid (PubChem CID 54232030) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 3-(ethylcarbamoyloxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(ethylcarbamoyloxy)-2-methylpropanoic acid
PubChem CID54232030
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name3-(ethylcarbamoyloxy)-2-methylpropanoic acid
SMILESCCNC(=O)OCC(C)C(=O)O
InChIInChI=1S/C7H13NO4/c1-3-8-7(11)12-4-5(2)6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10)
InChIKeyQJYPMRJAUSNJGO-UHFFFAOYSA-N
XLogP0.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylcarbamoyloxy)-2-methylpropanoic acid?
The IUPAC name of 3-(ethylcarbamoyloxy)-2-methylpropanoic acid (CID 54232030) is 3-(ethylcarbamoyloxy)-2-methylpropanoic acid.
What is the SMILES notation for 3-(ethylcarbamoyloxy)-2-methylpropanoic acid?
The canonical SMILES for 3-(ethylcarbamoyloxy)-2-methylpropanoic acid is CCNC(=O)OCC(C)C(=O)O.
What is the InChIKey of 3-(ethylcarbamoyloxy)-2-methylpropanoic acid?
The InChIKey is QJYPMRJAUSNJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-3-8-7(11)12-4-5(2)6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10).
What are the key properties of 3-(ethylcarbamoyloxy)-2-methylpropanoic acid?
3-(ethylcarbamoyloxy)-2-methylpropanoic acid has a molecular weight of 175.18 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylcarbamoyloxy)-2-methylpropanoic acid is sourced from PubChem (CID 54232030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).