(Z)-5,9-diaminonon-4-enoic acid

C9H18N2O2 — CID 88573800

IUPAC(Z)-5,9-diaminonon-4-enoic acid
SMILESNCCCC/C(N)=C/CCC(=O)O
InChIInChI=1S/C9H18N2O2/c10-7-2-1-4-8(11)5-3-6-9(12)13/h5H,1-4,6-7,10-11H2,(H,12,13)/b8-5-
InChIKeySPDDFPKUGCDVAN-YVMONPNESA-N
MW186.25 g/mol
LogP0.82
Rot. Bonds7

About (Z)-5,9-diaminonon-4-enoic acid

(Z)-5,9-diaminonon-4-enoic acid (PubChem CID 88573800) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (Z)-5,9-diaminonon-4-enoic acid.

Molecular Properties

Compound Name(Z)-5,9-diaminonon-4-enoic acid
PubChem CID88573800
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(Z)-5,9-diaminonon-4-enoic acid
SMILESNCCCC/C(N)=C/CCC(=O)O
InChIInChI=1S/C9H18N2O2/c10-7-2-1-4-8(11)5-3-6-9(12)13/h5H,1-4,6-7,10-11H2,(H,12,13)/b8-5-
InChIKeySPDDFPKUGCDVAN-YVMONPNESA-N
XLogP0.82
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-aminododecanoic acid;carbamic acid
CID 157488032
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
(Z)-16-aminohexadec-9-enoic acid
CID 87215029
(Z)-16-aminohexadec-11-enoic acid
CID 89054374
6-aminohexanoic acid;zinc
CID 175049463
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
(E)-8-aminooct-4-enoic acid
CID 6365538
acetylene;6-aminohexanoic acid
CID 143110448
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
11-aminoundecanoic acid;ethane
CID 144914161

Frequently Asked Questions

What is the IUPAC name of (Z)-5,9-diaminonon-4-enoic acid?
The IUPAC name of (Z)-5,9-diaminonon-4-enoic acid (CID 88573800) is (Z)-5,9-diaminonon-4-enoic acid.
What is the SMILES notation for (Z)-5,9-diaminonon-4-enoic acid?
The canonical SMILES for (Z)-5,9-diaminonon-4-enoic acid is NCCCC/C(N)=C/CCC(=O)O.
What is the InChIKey of (Z)-5,9-diaminonon-4-enoic acid?
The InChIKey is SPDDFPKUGCDVAN-YVMONPNESA-N. The full InChI is InChI=1S/C9H18N2O2/c10-7-2-1-4-8(11)5-3-6-9(12)13/h5H,1-4,6-7,10-11H2,(H,12,13)/b8-5-.
What are the key properties of (Z)-5,9-diaminonon-4-enoic acid?
(Z)-5,9-diaminonon-4-enoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,9-diaminonon-4-enoic acid is sourced from PubChem (CID 88573800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).