8-amino-7-(methylamino)nonanoic acid

C10H22N2O2 — CID 10013102

IUPAC8-amino-7-(methylamino)nonanoic acid
SMILESCNC(CCCCCC(=O)O)C(C)N
InChIInChI=1S/C10H22N2O2/c1-8(11)9(12-2)6-4-3-5-7-10(13)14/h8-9,12H,3-7,11H2,1-2H3,(H,13,14)
InChIKeyYTOGYLTXLAJQMZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.96
Rot. Bonds8

About 8-amino-7-(methylamino)nonanoic acid

8-amino-7-(methylamino)nonanoic acid (PubChem CID 10013102) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 8-amino-7-(methylamino)nonanoic acid.

Molecular Properties

Compound Name8-amino-7-(methylamino)nonanoic acid
PubChem CID10013102
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name8-amino-7-(methylamino)nonanoic acid
SMILESCNC(CCCCCC(=O)O)C(C)N
InChIInChI=1S/C10H22N2O2/c1-8(11)9(12-2)6-4-3-5-7-10(13)14/h8-9,12H,3-7,11H2,1-2H3,(H,13,14)
InChIKeyYTOGYLTXLAJQMZ-UHFFFAOYSA-N
XLogP0.96
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.96
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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Frequently Asked Questions

What is the IUPAC name of 8-amino-7-(methylamino)nonanoic acid?
The IUPAC name of 8-amino-7-(methylamino)nonanoic acid (CID 10013102) is 8-amino-7-(methylamino)nonanoic acid.
What is the SMILES notation for 8-amino-7-(methylamino)nonanoic acid?
The canonical SMILES for 8-amino-7-(methylamino)nonanoic acid is CNC(CCCCCC(=O)O)C(C)N.
What is the InChIKey of 8-amino-7-(methylamino)nonanoic acid?
The InChIKey is YTOGYLTXLAJQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(11)9(12-2)6-4-3-5-7-10(13)14/h8-9,12H,3-7,11H2,1-2H3,(H,13,14).
What are the key properties of 8-amino-7-(methylamino)nonanoic acid?
8-amino-7-(methylamino)nonanoic acid has a molecular weight of 202.30 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-(methylamino)nonanoic acid is sourced from PubChem (CID 10013102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).