2-(2-bromo-5-methylanilino)propanoic acid

C10H12BrNO2 — CID 82761158

IUPAC2-(2-bromo-5-methylanilino)propanoic acid
SMILESCc1ccc(Br)c(NC(C)C(=O)O)c1
InChIInChI=1S/C10H12BrNO2/c1-6-3-4-8(11)9(5-6)12-7(2)10(13)14/h3-5,7,12H,1-2H3,(H,13,14)
InChIKeyVLUFWZVPUDBGSP-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.64
Rot. Bonds3

About 2-(2-bromo-5-methylanilino)propanoic acid

2-(2-bromo-5-methylanilino)propanoic acid (PubChem CID 82761158) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-(2-bromo-5-methylanilino)propanoic acid.

Molecular Properties

Compound Name2-(2-bromo-5-methylanilino)propanoic acid
PubChem CID82761158
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-(2-bromo-5-methylanilino)propanoic acid
SMILESCc1ccc(Br)c(NC(C)C(=O)O)c1
InChIInChI=1S/C10H12BrNO2/c1-6-3-4-8(11)9(5-6)12-7(2)10(13)14/h3-5,7,12H,1-2H3,(H,13,14)
InChIKeyVLUFWZVPUDBGSP-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylanilino)propanoic acid
CID 13138173
4-(2-bromo-5-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103499045
(2R)-2-(5-methyl-2-nitroanilino)propanoic acid
CID 120964446
(2S,3R)-2-[(2-bromo-5-methylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966496
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
(2R)-2-amino-N-(2-bromo-5-methylphenyl)propanamide
CID 82757390
1-(2-bromo-5-methylphenyl)-3-propan-2-ylurea
CID 82706454
2-(2-bromo-5-chloroanilino)propanamide
CID 81281042
(2-bromo-5-methylphenyl)urea
CID 82707313
(2S)-2-[(2-bromo-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82767019
3-(2-bromo-5-methylanilino)-3-oxopropanoic acid
CID 82758877
2-[(6-methylquinolin-4-yl)amino]propanoic acid
CID 83840397

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methylanilino)propanoic acid?
The IUPAC name of 2-(2-bromo-5-methylanilino)propanoic acid (CID 82761158) is 2-(2-bromo-5-methylanilino)propanoic acid.
What is the SMILES notation for 2-(2-bromo-5-methylanilino)propanoic acid?
The canonical SMILES for 2-(2-bromo-5-methylanilino)propanoic acid is Cc1ccc(Br)c(NC(C)C(=O)O)c1.
What is the InChIKey of 2-(2-bromo-5-methylanilino)propanoic acid?
The InChIKey is VLUFWZVPUDBGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6-3-4-8(11)9(5-6)12-7(2)10(13)14/h3-5,7,12H,1-2H3,(H,13,14).
What are the key properties of 2-(2-bromo-5-methylanilino)propanoic acid?
2-(2-bromo-5-methylanilino)propanoic acid has a molecular weight of 258.11 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methylanilino)propanoic acid is sourced from PubChem (CID 82761158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).