2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid

C12H11Br2NO3 — CID 107971371

IUPAC2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H11Br2NO3/c13-8-3-7(4-9(14)5-8)11(16)15-10(12(17)18)6-1-2-6/h3-6,10H,1-2H2,(H,15,16)(H,17,18)
InChIKeyFILQPJCRZOMZPK-UHFFFAOYSA-N
MW377.03 g/mol
LogP2.80
Rot. Bonds4

About 2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid

2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid (PubChem CID 107971371) has the molecular formula C12H11Br2NO3 and a molecular weight of 377.03 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid
PubChem CID107971371
Molecular FormulaC12H11Br2NO3
Molecular Weight377.03 g/mol
Exact Mass374.91
IUPAC Name2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H11Br2NO3/c13-8-3-7(4-9(14)5-8)11(16)15-10(12(17)18)6-1-2-6/h3-6,10H,1-2H2,(H,15,16)(H,17,18)
InChIKeyFILQPJCRZOMZPK-UHFFFAOYSA-N
XLogP2.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.03
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-5-methylbenzoyl)amino]-2-cyclohexylacetic acid
CID 104850715
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-2-cyclopropylacetic acid
CID 119213204
2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510
2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid
CID 61014771
2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid
CID 62696089
2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid
CID 107971162
2-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 62696891
2-[(3-chlorobenzoyl)amino]-2-cyclopropylacetic acid
CID 55108280
2-cyclopropyl-2-[(5,6-dichloropyridine-3-carbonyl)amino]acetic acid
CID 62697669

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid (CID 107971371) is 2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid?
The InChIKey is FILQPJCRZOMZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO3/c13-8-3-7(4-9(14)5-8)11(16)15-10(12(17)18)6-1-2-6/h3-6,10H,1-2H2,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid?
2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid has a molecular weight of 377.03 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid is sourced from PubChem (CID 107971371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).