2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid

C8H14BrNO3 — CID 22253669

IUPAC2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(Br)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C8H14BrNO3/c1-7(2,9)5(11)10-8(3,4)6(12)13/h1-4H3,(H,10,11)(H,12,13)
InChIKeyDDTDSRVXVCCMSS-UHFFFAOYSA-N
MW252.11 g/mol
LogP1.14
Rot. Bonds3

About 2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid

2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid (PubChem CID 22253669) has the molecular formula C8H14BrNO3 and a molecular weight of 252.11 g/mol. Its IUPAC name is 2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid
PubChem CID22253669
Molecular FormulaC8H14BrNO3
Molecular Weight252.11 g/mol
Exact Mass251.02
IUPAC Name2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid
SMILESCC(C)(Br)C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C8H14BrNO3/c1-7(2,9)5(11)10-8(3,4)6(12)13/h1-4H3,(H,10,11)(H,12,13)
InChIKeyDDTDSRVXVCCMSS-UHFFFAOYSA-N
XLogP1.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid (CID 22253669) is 2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid is CC(C)(Br)C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid?
The InChIKey is DDTDSRVXVCCMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO3/c1-7(2,9)5(11)10-8(3,4)6(12)13/h1-4H3,(H,10,11)(H,12,13).
What are the key properties of 2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid?
2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid has a molecular weight of 252.11 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-2-methylpropanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 22253669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).