2-(2-bromoprop-2-enylamino)-2-methylbutanoic acid

C8H14BrNO2 — CID 79791785

IUPAC2-(2-bromoprop-2-enylamino)-2-methylbutanoic acid
SMILESC=C(Br)CNC(C)(CC)C(=O)O
InChIInChI=1S/C8H14BrNO2/c1-4-8(3,7(11)12)10-5-6(2)9/h10H,2,4-5H2,1,3H3,(H,11,12)
InChIKeyYDQFRQHXWQFSMB-UHFFFAOYSA-N
MW236.11 g/mol
LogP1.74
Rot. Bonds5

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

2-(2-bromoprop-2-enylamino)-2-methylbutanoic acid (PubChem CID 79791785) has the molecular formula C8H14BrNO2 and a molecular weight of 236.11 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylamino)-2-methylbutanoic acid
PubChem CID79791785
Molecular FormulaC8H14BrNO2
Molecular Weight236.11 g/mol
Exact Mass235.02
IUPAC Name2-(2-bromoprop-2-enylamino)-2-methylbutanoic acid
SMILESC=C(Br)CNC(C)(CC)C(=O)O
InChIInChI=1S/C8H14BrNO2/c1-4-8(3,7(11)12)10-5-6(2)9/h10H,2,4-5H2,1,3H3,(H,11,12)
InChIKeyYDQFRQHXWQFSMB-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 51.74
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-methylbutanoic acid?
The IUPAC name of 2-(2-bromoprop-2-enylamino)-2-methylbutanoic acid (CID 79791785) is 2-(2-bromoprop-2-enylamino)-2-methylbutanoic acid.
What is the SMILES notation for 2-(2-bromoprop-2-enylamino)-2-methylbutanoic acid?
The canonical SMILES for 2-(2-bromoprop-2-enylamino)-2-methylbutanoic acid is C=C(Br)CNC(C)(CC)C(=O)O.
What is the InChIKey of 2-(2-bromoprop-2-enylamino)-2-methylbutanoic acid?
The InChIKey is YDQFRQHXWQFSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO2/c1-4-8(3,7(11)12)10-5-6(2)9/h10H,2,4-5H2,1,3H3,(H,11,12).
What are the key properties of 2-(2-bromoprop-2-enylamino)-2-methylbutanoic acid?
2-(2-bromoprop-2-enylamino)-2-methylbutanoic acid has a molecular weight of 236.11 g/mol, XLogP of 1.74, 5 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-methylbutanoic acid is sourced from PubChem (CID 79791785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).