3-[(4-bromobenzoyl)amino]propanoic acid

C10H10BrNO3 — CID 603875

IUPAC3-[(4-bromobenzoyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14)
InChIKeyAWXOXDFIMZLYSX-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.65
Rot. Bonds4

About 3-[(4-bromobenzoyl)amino]propanoic acid

3-[(4-bromobenzoyl)amino]propanoic acid (PubChem CID 603875) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 3-[(4-bromobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-bromobenzoyl)amino]propanoic acid
PubChem CID603875
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name3-[(4-bromobenzoyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14)
InChIKeyAWXOXDFIMZLYSX-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromobenzoyl)amino]propanoic acid?
The IUPAC name of 3-[(4-bromobenzoyl)amino]propanoic acid (CID 603875) is 3-[(4-bromobenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-bromobenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-bromobenzoyl)amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromobenzoyl)amino]propanoic acid?
The InChIKey is AWXOXDFIMZLYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6H2,(H,12,15)(H,13,14).
What are the key properties of 3-[(4-bromobenzoyl)amino]propanoic acid?
3-[(4-bromobenzoyl)amino]propanoic acid has a molecular weight of 272.10 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromobenzoyl)amino]propanoic acid is sourced from PubChem (CID 603875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).