2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid

C10H19NO4 — CID 79806625

IUPAC2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid
SMILESCCC(CC)(NC(=O)OC(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-5-10(6-2,8(12)13)11-9(14)15-7(3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyRODFWABWWHCSAJ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.76
Rot. Bonds5

About 2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid

2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid (PubChem CID 79806625) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid
PubChem CID79806625
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid
SMILESCCC(CC)(NC(=O)OC(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-5-10(6-2,8(12)13)11-9(14)15-7(3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyRODFWABWWHCSAJ-UHFFFAOYSA-N
XLogP1.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid (CID 79806625) is 2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid is CCC(CC)(NC(=O)OC(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid?
The InChIKey is RODFWABWWHCSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-10(6-2,8(12)13)11-9(14)15-7(3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13).
What are the key properties of 2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid?
2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid is sourced from PubChem (CID 79806625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).