2-(5-methylhexylamino)acetic acid

C9H19NO2 — CID 115325451

IUPAC2-(5-methylhexylamino)acetic acid
SMILESCC(C)CCCCNCC(=O)O
InChIInChI=1S/C9H19NO2/c1-8(2)5-3-4-6-10-7-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyLSRDZALUDGHWMX-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.49
Rot. Bonds7

About 2-(5-methylhexylamino)acetic acid

2-(5-methylhexylamino)acetic acid (PubChem CID 115325451) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(5-methylhexylamino)acetic acid.

Molecular Properties

Compound Name2-(5-methylhexylamino)acetic acid
PubChem CID115325451
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-(5-methylhexylamino)acetic acid
SMILESCC(C)CCCCNCC(=O)O
InChIInChI=1S/C9H19NO2/c1-8(2)5-3-4-6-10-7-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyLSRDZALUDGHWMX-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(5-methylhexylamino)acetic acid?
The IUPAC name of 2-(5-methylhexylamino)acetic acid (CID 115325451) is 2-(5-methylhexylamino)acetic acid.
What is the SMILES notation for 2-(5-methylhexylamino)acetic acid?
The canonical SMILES for 2-(5-methylhexylamino)acetic acid is CC(C)CCCCNCC(=O)O.
What is the InChIKey of 2-(5-methylhexylamino)acetic acid?
The InChIKey is LSRDZALUDGHWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)5-3-4-6-10-7-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-(5-methylhexylamino)acetic acid?
2-(5-methylhexylamino)acetic acid has a molecular weight of 173.26 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexylamino)acetic acid is sourced from PubChem (CID 115325451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).