4,9-diaminononanoic acid

C9H20N2O2 — CID 88791042

IUPAC4,9-diaminononanoic acid
SMILESNCCCCCC(N)CCC(=O)O
InChIInChI=1S/C9H20N2O2/c10-7-3-1-2-4-8(11)5-6-9(12)13/h8H,1-7,10-11H2,(H,12,13)
InChIKeyQTOOOUQOPOHEPT-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.70
Rot. Bonds8

About 4,9-diaminononanoic acid

4,9-diaminononanoic acid (PubChem CID 88791042) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4,9-diaminononanoic acid.

Molecular Properties

Compound Name4,9-diaminononanoic acid
PubChem CID88791042
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name4,9-diaminononanoic acid
SMILESNCCCCCC(N)CCC(=O)O
InChIInChI=1S/C9H20N2O2/c10-7-3-1-2-4-8(11)5-6-9(12)13/h8H,1-7,10-11H2,(H,12,13)
InChIKeyQTOOOUQOPOHEPT-UHFFFAOYSA-N
XLogP0.70
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.70
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

6,12-diaminoheptadecanedioic acid
CID 23455605
4-aminoicosanoic acid
CID 57269724
4-aminooctadecanoic acid
CID 154390224
5,9-diaminononan-2-one
CID 175346024
3,7-diaminoheptanoic acid
CID 4695301
5-aminododecanedioic acid
CID 3835680
19,28-diaminooctacosanoic acid;terephthalic acid
CID 90300456
(3R)-3,7-diaminoheptanoic acid;dihydrochloride
CID 121234002
pentacosane-1,13,25-triamine
CID 174653759
bis(butanedioic acid);2,6-diaminohexanoic acid
CID 87800370
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
heptanedioic acid;hexane-1,6-diamine
CID 174639050

Frequently Asked Questions

What is the IUPAC name of 4,9-diaminononanoic acid?
The IUPAC name of 4,9-diaminononanoic acid (CID 88791042) is 4,9-diaminononanoic acid.
What is the SMILES notation for 4,9-diaminononanoic acid?
The canonical SMILES for 4,9-diaminononanoic acid is NCCCCCC(N)CCC(=O)O.
What is the InChIKey of 4,9-diaminononanoic acid?
The InChIKey is QTOOOUQOPOHEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c10-7-3-1-2-4-8(11)5-6-9(12)13/h8H,1-7,10-11H2,(H,12,13).
What are the key properties of 4,9-diaminononanoic acid?
4,9-diaminononanoic acid has a molecular weight of 188.27 g/mol, XLogP of 0.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-diaminononanoic acid is sourced from PubChem (CID 88791042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).