methyl 2-(hexylamino)acetate

C9H19NO2 — CID 5461705

IUPACmethyl 2-(hexylamino)acetate
SMILESCCCCCCNCC(=O)OC
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-7-10-8-9(11)12-2/h10H,3-8H2,1-2H3
InChIKeyQKQSVBZXFMRFBV-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds7

About methyl 2-(hexylamino)acetate

methyl 2-(hexylamino)acetate (PubChem CID 5461705) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl 2-(hexylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(hexylamino)acetate
PubChem CID5461705
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl 2-(hexylamino)acetate
SMILESCCCCCCNCC(=O)OC
InChIInChI=1S/C9H19NO2/c1-3-4-5-6-7-10-8-9(11)12-2/h10H,3-8H2,1-2H3
InChIKeyQKQSVBZXFMRFBV-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
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 methyl 2-(hexylamino)acetate?
The IUPAC name of methyl 2-(hexylamino)acetate (CID 5461705) is methyl 2-(hexylamino)acetate.
What is the SMILES notation for methyl 2-(hexylamino)acetate?
The canonical SMILES for methyl 2-(hexylamino)acetate is CCCCCCNCC(=O)OC.
What is the InChIKey of methyl 2-(hexylamino)acetate?
The InChIKey is QKQSVBZXFMRFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-5-6-7-10-8-9(11)12-2/h10H,3-8H2,1-2H3.
What are the key properties of methyl 2-(hexylamino)acetate?
methyl 2-(hexylamino)acetate has a molecular weight of 173.26 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hexylamino)acetate is sourced from PubChem (CID 5461705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).