6-(methylamino)-2-methylidenehexanoic acid

C8H15NO2 — CID 87135676

IUPAC6-(methylamino)-2-methylidenehexanoic acid
SMILESC=C(CCCCNC)C(=O)O
InChIInChI=1S/C8H15NO2/c1-7(8(10)11)5-3-4-6-9-2/h9H,1,3-6H2,2H3,(H,10,11)
InChIKeyYOXBRLJDVBQXFH-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.02
Rot. Bonds6

About 6-(methylamino)-2-methylidenehexanoic acid

6-(methylamino)-2-methylidenehexanoic acid (PubChem CID 87135676) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 6-(methylamino)-2-methylidenehexanoic acid.

Molecular Properties

Compound Name6-(methylamino)-2-methylidenehexanoic acid
PubChem CID87135676
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name6-(methylamino)-2-methylidenehexanoic acid
SMILESC=C(CCCCNC)C(=O)O
InChIInChI=1S/C8H15NO2/c1-7(8(10)11)5-3-4-6-9-2/h9H,1,3-6H2,2H3,(H,10,11)
InChIKeyYOXBRLJDVBQXFH-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-2-methylidenehexanoic acid?
The IUPAC name of 6-(methylamino)-2-methylidenehexanoic acid (CID 87135676) is 6-(methylamino)-2-methylidenehexanoic acid.
What is the SMILES notation for 6-(methylamino)-2-methylidenehexanoic acid?
The canonical SMILES for 6-(methylamino)-2-methylidenehexanoic acid is C=C(CCCCNC)C(=O)O.
What is the InChIKey of 6-(methylamino)-2-methylidenehexanoic acid?
The InChIKey is YOXBRLJDVBQXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(8(10)11)5-3-4-6-9-2/h9H,1,3-6H2,2H3,(H,10,11).
What are the key properties of 6-(methylamino)-2-methylidenehexanoic acid?
6-(methylamino)-2-methylidenehexanoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-2-methylidenehexanoic acid is sourced from PubChem (CID 87135676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).