4-(1-aminocyclopropyl)-3-bromobenzoic acid

C10H10BrNO2 — CID 84805106

IUPAC4-(1-aminocyclopropyl)-3-bromobenzoic acid
SMILESNC1(c2ccc(C(=O)O)cc2Br)CC1
InChIInChI=1S/C10H10BrNO2/c11-8-5-6(9(13)14)1-2-7(8)10(12)3-4-10/h1-2,5H,3-4,12H2,(H,13,14)
InChIKeyGMHMHXQKZNZRBP-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.10
Rot. Bonds2

About 4-(1-aminocyclopropyl)-3-bromobenzoic acid

4-(1-aminocyclopropyl)-3-bromobenzoic acid (PubChem CID 84805106) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-3-bromobenzoic acid.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-3-bromobenzoic acid
PubChem CID84805106
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name4-(1-aminocyclopropyl)-3-bromobenzoic acid
SMILESNC1(c2ccc(C(=O)O)cc2Br)CC1
InChIInChI=1S/C10H10BrNO2/c11-8-5-6(9(13)14)1-2-7(8)10(12)3-4-10/h1-2,5H,3-4,12H2,(H,13,14)
InChIKeyGMHMHXQKZNZRBP-UHFFFAOYSA-N
XLogP2.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-aminocyclopropyl)-3-chlorobenzoic acid
CID 84781989
2-bromoterephthalic acid;dihydrochloride
CID 175123722
3-[(1-aminocyclobutanecarbonyl)amino]-4-bromobenzoic acid
CID 107813502
3-bromo-4-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]benzoic acid
CID 106216335
3-(1-aminocyclopropyl)-4-bromoaniline
CID 84690977
3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid
CID 161088478
3-[(4-aminooxane-4-carbonyl)amino]-4-bromobenzoic acid
CID 107813404
3-bromo-4-(2,2-dimethylbutylamino)benzoic acid
CID 103464837
5,8-dihydronaphthalene-2-carboxylic acid
CID 70557136
2-bromo-5-carboxyphenolate
CID 54741926
3-bromo-4-(chloromethyl)benzoic acid
CID 91883093
4-[[(2S)-2-aminopropanoyl]amino]-3-bromobenzoic acid
CID 78992135

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-3-bromobenzoic acid?
The IUPAC name of 4-(1-aminocyclopropyl)-3-bromobenzoic acid (CID 84805106) is 4-(1-aminocyclopropyl)-3-bromobenzoic acid.
What is the SMILES notation for 4-(1-aminocyclopropyl)-3-bromobenzoic acid?
The canonical SMILES for 4-(1-aminocyclopropyl)-3-bromobenzoic acid is NC1(c2ccc(C(=O)O)cc2Br)CC1.
What is the InChIKey of 4-(1-aminocyclopropyl)-3-bromobenzoic acid?
The InChIKey is GMHMHXQKZNZRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-8-5-6(9(13)14)1-2-7(8)10(12)3-4-10/h1-2,5H,3-4,12H2,(H,13,14).
What are the key properties of 4-(1-aminocyclopropyl)-3-bromobenzoic acid?
4-(1-aminocyclopropyl)-3-bromobenzoic acid has a molecular weight of 256.10 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-3-bromobenzoic acid is sourced from PubChem (CID 84805106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).