methyl 2-aminohexanoate

C7H15NO2 — CID 559296

IUPACmethyl 2-aminohexanoate
SMILESCCCCC(N)C(=O)OC
InChIInChI=1S/C7H15NO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5,8H2,1-2H3
InChIKeyTVZNFYXAPXOARC-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.68
Rot. Bonds4

About methyl 2-aminohexanoate

methyl 2-aminohexanoate (PubChem CID 559296) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 2-aminohexanoate.

Molecular Properties

Compound Namemethyl 2-aminohexanoate
PubChem CID559296
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 2-aminohexanoate
SMILESCCCCC(N)C(=O)OC
InChIInChI=1S/C7H15NO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5,8H2,1-2H3
InChIKeyTVZNFYXAPXOARC-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-aminohexanoate?
The IUPAC name of methyl 2-aminohexanoate (CID 559296) is methyl 2-aminohexanoate.
What is the SMILES notation for methyl 2-aminohexanoate?
The canonical SMILES for methyl 2-aminohexanoate is CCCCC(N)C(=O)OC.
What is the InChIKey of methyl 2-aminohexanoate?
The InChIKey is TVZNFYXAPXOARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5,8H2,1-2H3.
What are the key properties of methyl 2-aminohexanoate?
methyl 2-aminohexanoate has a molecular weight of 145.20 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminohexanoate is sourced from PubChem (CID 559296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).