(2S)-2-(methylamino)hexanoic acid

C7H15NO2 — CID 7010351

IUPAC(2S)-2-(methylamino)hexanoic acid
SMILESCCCC[C@H](NC)C(=O)O
InChIInChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyFPDYKABXINADKS-LURJTMIESA-N
MW145.20 g/mol
LogP0.85
Rot. Bonds5

About (2S)-2-(methylamino)hexanoic acid

(2S)-2-(methylamino)hexanoic acid (PubChem CID 7010351) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S)-2-(methylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)hexanoic acid
PubChem CID7010351
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S)-2-(methylamino)hexanoic acid
SMILESCCCC[C@H](NC)C(=O)O
InChIInChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyFPDYKABXINADKS-LURJTMIESA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)hexanoic acid?
The IUPAC name of (2S)-2-(methylamino)hexanoic acid (CID 7010351) is (2S)-2-(methylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(methylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(methylamino)hexanoic acid is CCCC[C@H](NC)C(=O)O.
What is the InChIKey of (2S)-2-(methylamino)hexanoic acid?
The InChIKey is FPDYKABXINADKS-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-(methylamino)hexanoic acid?
(2S)-2-(methylamino)hexanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)hexanoic acid is sourced from PubChem (CID 7010351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).