2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid

C11H11Br2NO2 — CID 107601020

IUPAC2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid
SMILESO=C(O)C(Nc1c(Br)cccc1Br)C1CC1
InChIInChI=1S/C11H11Br2NO2/c12-7-2-1-3-8(13)10(7)14-9(11(15)16)6-4-5-6/h1-3,6,9,14H,4-5H2,(H,15,16)
InChIKeyCCPVJHKWOAAOFI-UHFFFAOYSA-N
MW349.02 g/mol
LogP3.49
Rot. Bonds4

About 2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid

2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid (PubChem CID 107601020) has the molecular formula C11H11Br2NO2 and a molecular weight of 349.02 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid
PubChem CID107601020
Molecular FormulaC11H11Br2NO2
Molecular Weight349.02 g/mol
Exact Mass346.92
IUPAC Name2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid
SMILESO=C(O)C(Nc1c(Br)cccc1Br)C1CC1
InChIInChI=1S/C11H11Br2NO2/c12-7-2-1-3-8(13)10(7)14-9(11(15)16)6-4-5-6/h1-3,6,9,14H,4-5H2,(H,15,16)
InChIKeyCCPVJHKWOAAOFI-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2-carbamoylanilino)-2-cyclohexylacetic acid
CID 114880085
2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid
CID 103266614
2-(2-chloro-6-methylanilino)-2-cyclopropylacetic acid
CID 103256046
2-(4-bromo-2,3-dichloroanilino)-2-cyclopropylacetic acid
CID 107791302
2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid
CID 62697316
2-(2-bromoanilino)-2-(thiolan-3-yl)acetic acid
CID 107133026
2-(2-bromo-4-chloroanilino)-2-cyclopropylacetic acid
CID 103259308
2-(3-bromo-4-carbamoylanilino)-2-cyclopropylacetic acid
CID 107275436
2-cyclopropyl-2-(3-iodoanilino)acetic acid
CID 103236721
2-(2-bromo-4-cyanoanilino)-2-cyclopropylacetic acid
CID 82797571
2-(4-chloroanilino)-2-cyclopropylacetic acid
CID 61310557
2-[3-(2-bromophenyl)sulfanylpropanoylamino]-2-cyclopropylacetic acid
CID 119213508

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid (CID 107601020) is 2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid is O=C(O)C(Nc1c(Br)cccc1Br)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid?
The InChIKey is CCPVJHKWOAAOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO2/c12-7-2-1-3-8(13)10(7)14-9(11(15)16)6-4-5-6/h1-3,6,9,14H,4-5H2,(H,15,16).
What are the key properties of 2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid?
2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid has a molecular weight of 349.02 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid is sourced from PubChem (CID 107601020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).