2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid

C7H12BrNO2 — CID 65264055

IUPAC2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid
SMILESC=C(Br)CNC(C)(C)C(=O)O
InChIInChI=1S/C7H12BrNO2/c1-5(8)4-9-7(2,3)6(10)11/h9H,1,4H2,2-3H3,(H,10,11)
InChIKeyYDJOVVCIWGCOMM-UHFFFAOYSA-N
MW222.08 g/mol
LogP1.35
Rot. Bonds4

About 2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid

2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid (PubChem CID 65264055) has the molecular formula C7H12BrNO2 and a molecular weight of 222.08 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid
PubChem CID65264055
Molecular FormulaC7H12BrNO2
Molecular Weight222.08 g/mol
Exact Mass221.01
IUPAC Name2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid
SMILESC=C(Br)CNC(C)(C)C(=O)O
InChIInChI=1S/C7H12BrNO2/c1-5(8)4-9-7(2,3)6(10)11/h9H,1,4H2,2-3H3,(H,10,11)
InChIKeyYDJOVVCIWGCOMM-UHFFFAOYSA-N
XLogP1.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid (CID 65264055) is 2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid is C=C(Br)CNC(C)(C)C(=O)O.
What is the InChIKey of 2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid?
The InChIKey is YDJOVVCIWGCOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO2/c1-5(8)4-9-7(2,3)6(10)11/h9H,1,4H2,2-3H3,(H,10,11).
What are the key properties of 2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid?
2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid has a molecular weight of 222.08 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enylamino)-2-methylpropanoic acid is sourced from PubChem (CID 65264055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).