3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid

C10H10Br2N2O3 — CID 54954210

IUPAC3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2N2O3/c11-6-1-2-8(7(12)5-6)14-10(17)13-4-3-9(15)16/h1-2,5H,3-4H2,(H,15,16)(H2,13,14,17)
InChIKeyUSQRAGPIAYKFIU-UHFFFAOYSA-N
MW366.01 g/mol
LogP2.81
Rot. Bonds4

About 3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid

3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid (PubChem CID 54954210) has the molecular formula C10H10Br2N2O3 and a molecular weight of 366.01 g/mol. Its IUPAC name is 3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid
PubChem CID54954210
Molecular FormulaC10H10Br2N2O3
Molecular Weight366.01 g/mol
Exact Mass363.91
IUPAC Name3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C10H10Br2N2O3/c11-6-1-2-8(7(12)5-6)14-10(17)13-4-3-9(15)16/h1-2,5H,3-4H2,(H,15,16)(H2,13,14,17)
InChIKeyUSQRAGPIAYKFIU-UHFFFAOYSA-N
XLogP2.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.01
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromo-2-methylphenyl)carbamoylamino]propanoic acid
CID 61181043
1-(2,4-dibromophenyl)-3-ethylurea
CID 102364568
3-[[4-bromo-2-(trifluoromethoxy)phenyl]carbamoylamino]propanoic acid
CID 103193516
5-[(2,4-dibromophenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686390
3-(2,4-dibromoanilino)-3-oxopropanoic acid
CID 62230789
7-[(4-bromo-2-chlorophenyl)carbamoylamino]heptanoic acid
CID 61195031
3-[(5-bromo-2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 102854362
3-[(4-bromo-2,5-difluorophenyl)carbamoylamino]propanoic acid
CID 107614346
1-(2,4-dibromophenyl)-3-[(2S)-2-hydroxypropyl]urea
CID 51944658
4-[[2-(2,4-dibromoanilino)-2-oxoethyl]amino]butanoic acid
CID 43473555
2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide
CID 61475658
3-[[5-bromo-2-(2-ethoxyethoxy)phenyl]carbamoylamino]propanoic acid
CID 122089119

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid (CID 54954210) is 3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid is O=C(O)CCNC(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid?
The InChIKey is USQRAGPIAYKFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N2O3/c11-6-1-2-8(7(12)5-6)14-10(17)13-4-3-9(15)16/h1-2,5H,3-4H2,(H,15,16)(H2,13,14,17).
What are the key properties of 3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid?
3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid has a molecular weight of 366.01 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dibromophenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 54954210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).