7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid

C17H22BrNO3 — CID 119227195

IUPAC7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)C1CC1c1cccc(Br)c1
InChIInChI=1S/C17H22BrNO3/c18-13-7-5-6-12(10-13)14-11-15(14)17(22)19-9-4-2-1-3-8-16(20)21/h5-7,10,14-15H,1-4,8-9,11H2,(H,19,22)(H,20,21)
InChIKeyVIOGMPZPYYYKKT-UHFFFAOYSA-N
MW368.27 g/mol
LogP3.70
Rot. Bonds9

About 7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid

7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid (PubChem CID 119227195) has the molecular formula C17H22BrNO3 and a molecular weight of 368.27 g/mol. Its IUPAC name is 7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid
PubChem CID119227195
Molecular FormulaC17H22BrNO3
Molecular Weight368.27 g/mol
Exact Mass367.08
IUPAC Name7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)C1CC1c1cccc(Br)c1
InChIInChI=1S/C17H22BrNO3/c18-13-7-5-6-12(10-13)14-11-15(14)17(22)19-9-4-2-1-3-8-16(20)21/h5-7,10,14-15H,1-4,8-9,11H2,(H,19,22)(H,20,21)
InChIKeyVIOGMPZPYYYKKT-UHFFFAOYSA-N
XLogP3.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]pentanoate
CID 49197372
N-(3-aminopropyl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119408418
methyl 3-[[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95284135
7-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]heptanoic acid
CID 119227407
6-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]hexanoic acid
CID 119219981
2-(3-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
CID 49194889
4-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119352986
4-[[2-(3-bromophenyl)cyclopropanecarbonyl]-methylamino]butanoic acid
CID 119172658
2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
CID 119448623
3-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220666
5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 99849422
cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 95155854

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid?
The IUPAC name of 7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid (CID 119227195) is 7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid?
The canonical SMILES for 7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid is O=C(O)CCCCCCNC(=O)C1CC1c1cccc(Br)c1.
What is the InChIKey of 7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid?
The InChIKey is VIOGMPZPYYYKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO3/c18-13-7-5-6-12(10-13)14-11-15(14)17(22)19-9-4-2-1-3-8-16(20)21/h5-7,10,14-15H,1-4,8-9,11H2,(H,19,22)(H,20,21).
What are the key properties of 7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid?
7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid has a molecular weight of 368.27 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid is sourced from PubChem (CID 119227195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).