9-aminononanoic acid;9-bromodecanoic acid

C19H38BrNO4 — CID 87177753

IUPAC9-aminononanoic acid;9-bromodecanoic acid
SMILESCC(Br)CCCCCCCC(=O)O.NCCCCCCCCC(=O)O
InChIInChI=1S/C10H19BrO2.C9H19NO2/c1-9(11)7-5-3-2-4-6-8-10(12)13;10-8-6-4-2-1-3-5-7-9(11)12/h9H,2-8H2,1H3,(H,12,13);1-8,10H2,(H,11,12)
InChIKeyRLKLJSMITMADMP-UHFFFAOYSA-N
MW424.42 g/mol
LogP5.35
Rot. Bonds16

About 9-aminononanoic acid;9-bromodecanoic acid

9-aminononanoic acid;9-bromodecanoic acid (PubChem CID 87177753) has the molecular formula C19H38BrNO4 and a molecular weight of 424.42 g/mol. Its IUPAC name is 9-aminononanoic acid;9-bromodecanoic acid.

Molecular Properties

Compound Name9-aminononanoic acid;9-bromodecanoic acid
PubChem CID87177753
Molecular FormulaC19H38BrNO4
Molecular Weight424.42 g/mol
Exact Mass423.20
IUPAC Name9-aminononanoic acid;9-bromodecanoic acid
SMILESCC(Br)CCCCCCCC(=O)O.NCCCCCCCCC(=O)O
InChIInChI=1S/C10H19BrO2.C9H19NO2/c1-9(11)7-5-3-2-4-6-8-10(12)13;10-8-6-4-2-1-3-5-7-9(11)12/h9H,2-8H2,1H3,(H,12,13);1-8,10H2,(H,11,12)
InChIKeyRLKLJSMITMADMP-UHFFFAOYSA-N
XLogP5.35
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 22242436
6-bromoheptanoic acid
CID 18767531
11-aminoundecanoic acid;ethane
CID 144914161
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
6-aminohexanoic acid;ethane;molecular hydrogen
CID 143775887
12-amino-7-oxododecanoic acid
CID 4206597
6-aminohexanoic acid;zinc
CID 175049463
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
acetylene;6-aminohexanoic acid
CID 143110448

Frequently Asked Questions

What is the IUPAC name of 9-aminononanoic acid;9-bromodecanoic acid?
The IUPAC name of 9-aminononanoic acid;9-bromodecanoic acid (CID 87177753) is 9-aminononanoic acid;9-bromodecanoic acid.
What is the SMILES notation for 9-aminononanoic acid;9-bromodecanoic acid?
The canonical SMILES for 9-aminononanoic acid;9-bromodecanoic acid is CC(Br)CCCCCCCC(=O)O.NCCCCCCCCC(=O)O.
What is the InChIKey of 9-aminononanoic acid;9-bromodecanoic acid?
The InChIKey is RLKLJSMITMADMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO2.C9H19NO2/c1-9(11)7-5-3-2-4-6-8-10(12)13;10-8-6-4-2-1-3-5-7-9(11)12/h9H,2-8H2,1H3,(H,12,13);1-8,10H2,(H,11,12).
What are the key properties of 9-aminononanoic acid;9-bromodecanoic acid?
9-aminononanoic acid;9-bromodecanoic acid has a molecular weight of 424.42 g/mol, XLogP of 5.35, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-aminononanoic acid;9-bromodecanoic acid is sourced from PubChem (CID 87177753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).