2-(2-bromoprop-2-enylamino)propanoic acid

C6H10BrNO2 — CID 60872251

IUPAC2-(2-bromoprop-2-enylamino)propanoic acid
SMILESC=C(Br)CNC(C)C(=O)O
InChIInChI=1S/C6H10BrNO2/c1-4(7)3-8-5(2)6(9)10/h5,8H,1,3H2,2H3,(H,9,10)
InChIKeyNXUCGJOATJSQCS-UHFFFAOYSA-N
MW208.05 g/mol
LogP0.96
Rot. Bonds4

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

2-(2-bromoprop-2-enylamino)propanoic acid (PubChem CID 60872251) has the molecular formula C6H10BrNO2 and a molecular weight of 208.05 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylamino)propanoic acid
PubChem CID60872251
Molecular FormulaC6H10BrNO2
Molecular Weight208.05 g/mol
Exact Mass206.99
IUPAC Name2-(2-bromoprop-2-enylamino)propanoic acid
SMILESC=C(Br)CNC(C)C(=O)O
InChIInChI=1S/C6H10BrNO2/c1-4(7)3-8-5(2)6(9)10/h5,8H,1,3H2,2H3,(H,9,10)
InChIKeyNXUCGJOATJSQCS-UHFFFAOYSA-N
XLogP0.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 50.96
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)propanoic acid?
The IUPAC name of 2-(2-bromoprop-2-enylamino)propanoic acid (CID 60872251) is 2-(2-bromoprop-2-enylamino)propanoic acid.
What is the SMILES notation for 2-(2-bromoprop-2-enylamino)propanoic acid?
The canonical SMILES for 2-(2-bromoprop-2-enylamino)propanoic acid is C=C(Br)CNC(C)C(=O)O.
What is the InChIKey of 2-(2-bromoprop-2-enylamino)propanoic acid?
The InChIKey is NXUCGJOATJSQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrNO2/c1-4(7)3-8-5(2)6(9)10/h5,8H,1,3H2,2H3,(H,9,10).
What are the key properties of 2-(2-bromoprop-2-enylamino)propanoic acid?
2-(2-bromoprop-2-enylamino)propanoic acid has a molecular weight of 208.05 g/mol, XLogP of 0.96, 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)propanoic acid is sourced from PubChem (CID 60872251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).