2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid

C10H10BrFN2O3 — CID 107601919

IUPAC2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1c(F)cccc1Br)C(=O)O
InChIInChI=1S/C10H10BrFN2O3/c1-5(9(15)16)13-10(17)14-8-6(11)3-2-4-7(8)12/h2-5H,1H3,(H,15,16)(H2,13,14,17)
InChIKeyOQJQKKBERSBKEV-UHFFFAOYSA-N
MW305.10 g/mol
LogP2.18
Rot. Bonds3

About 2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid

2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid (PubChem CID 107601919) has the molecular formula C10H10BrFN2O3 and a molecular weight of 305.10 g/mol. Its IUPAC name is 2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid
PubChem CID107601919
Molecular FormulaC10H10BrFN2O3
Molecular Weight305.10 g/mol
Exact Mass303.99
IUPAC Name2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid
SMILESCC(NC(=O)Nc1c(F)cccc1Br)C(=O)O
InChIInChI=1S/C10H10BrFN2O3/c1-5(9(15)16)13-10(17)14-8-6(11)3-2-4-7(8)12/h2-5H,1H3,(H,15,16)(H2,13,14,17)
InChIKeyOQJQKKBERSBKEV-UHFFFAOYSA-N
XLogP2.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2,6-difluorophenyl)carbamoylamino]propanoic acid
CID 54991149
3-[(2-bromo-6-fluorophenyl)carbamoylamino]-2-methylbutanoic acid
CID 107601941
(2S)-2-[(2-bromo-6-fluorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005952
(2S)-2-[(2-bromo-6-fluorophenyl)carbamoylamino]-4-methoxy-4-oxobutanoic acid
CID 107601893
(2S)-2-[(2,6-difluoro-3-methylphenyl)carbamoylamino]propanoic acid
CID 82819574
2-[(2,6-difluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61195936
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
(2S)-2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 28508457
2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 61190244
3-[(2,6-difluorophenyl)carbamoylamino]butanoic acid
CID 61194064
(2S)-2-[(2-bromo-4-fluorophenyl)carbamoylamino]propanoic acid
CID 78967831
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
CID 107949095

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid (CID 107601919) is 2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid is CC(NC(=O)Nc1c(F)cccc1Br)C(=O)O.
What is the InChIKey of 2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid?
The InChIKey is OQJQKKBERSBKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O3/c1-5(9(15)16)13-10(17)14-8-6(11)3-2-4-7(8)12/h2-5H,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid?
2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid has a molecular weight of 305.10 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-6-fluorophenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 107601919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).