2-(3-bromoanilino)-2-cyclopropylpropanoic acid

C12H14BrNO2 — CID 60994138

IUPAC2-(3-bromoanilino)-2-cyclopropylpropanoic acid
SMILESCC(Nc1cccc(Br)c1)(C(=O)O)C1CC1
InChIInChI=1S/C12H14BrNO2/c1-12(11(15)16,8-5-6-8)14-10-4-2-3-9(13)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,15,16)
InChIKeyUSIGVWSVRASRQW-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.11
Rot. Bonds4

About 2-(3-bromoanilino)-2-cyclopropylpropanoic acid

2-(3-bromoanilino)-2-cyclopropylpropanoic acid (PubChem CID 60994138) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-cyclopropylpropanoic acid
PubChem CID60994138
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name2-(3-bromoanilino)-2-cyclopropylpropanoic acid
SMILESCC(Nc1cccc(Br)c1)(C(=O)O)C1CC1
InChIInChI=1S/C12H14BrNO2/c1-12(11(15)16,8-5-6-8)14-10-4-2-3-9(13)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,15,16)
InChIKeyUSIGVWSVRASRQW-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-cyclopropylpropanamide
CID 61006538
2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
CID 60993850
2-(1,3-benzodioxol-5-ylamino)-2-cyclopropylpropanoic acid
CID 114992485
methyl 2-(3-bromoanilino)-2-cyclopropylbutanoate
CID 64917845
2-cyclopropyl-2-[[3-(dimethylamino)phenyl]carbamoylamino]propanoic acid
CID 115378476
3-bromo-N-(4-tert-butylcyclohexyl)aniline
CID 28546222
2-(3-bromoanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868121
2-(3-bromoanilino)-2-phenylpropanamide
CID 54891412
2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine
CID 65378521
2-(3-bromoanilino)-2-(4-bromo-2-fluorophenyl)propanoic acid
CID 82955551
2-(3-bromoanilino)cyclobutane-1-carboxylic acid
CID 103234478
2-(3-bromoanilino)-2-methylpropan-1-ol
CID 61048662

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-cyclopropylpropanoic acid?
The IUPAC name of 2-(3-bromoanilino)-2-cyclopropylpropanoic acid (CID 60994138) is 2-(3-bromoanilino)-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-(3-bromoanilino)-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-(3-bromoanilino)-2-cyclopropylpropanoic acid is CC(Nc1cccc(Br)c1)(C(=O)O)C1CC1.
What is the InChIKey of 2-(3-bromoanilino)-2-cyclopropylpropanoic acid?
The InChIKey is USIGVWSVRASRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-12(11(15)16,8-5-6-8)14-10-4-2-3-9(13)7-10/h2-4,7-8,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-(3-bromoanilino)-2-cyclopropylpropanoic acid?
2-(3-bromoanilino)-2-cyclopropylpropanoic acid has a molecular weight of 284.15 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-cyclopropylpropanoic acid is sourced from PubChem (CID 60994138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).