(2S)-2-azaniumylhexanoate

C6H13NO2 — CID 6991974

IUPAC(2S)-2-azaniumylhexanoate
SMILESCCCC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyLRQKBLKVPFOOQJ-YFKPBYRVSA-N
MW131.18 g/mol
LogP-1.46
Rot. Bonds4

About (2S)-2-azaniumylhexanoate

(2S)-2-azaniumylhexanoate (PubChem CID 6991974) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (2S)-2-azaniumylhexanoate.

Molecular Properties

Compound Name(2S)-2-azaniumylhexanoate
PubChem CID6991974
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(2S)-2-azaniumylhexanoate
SMILESCCCC[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyLRQKBLKVPFOOQJ-YFKPBYRVSA-N
XLogP-1.46
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-azaniumylhexanoate?
The IUPAC name of (2S)-2-azaniumylhexanoate (CID 6991974) is (2S)-2-azaniumylhexanoate.
What is the SMILES notation for (2S)-2-azaniumylhexanoate?
The canonical SMILES for (2S)-2-azaniumylhexanoate is CCCC[C@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2S)-2-azaniumylhexanoate?
The InChIKey is LRQKBLKVPFOOQJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-azaniumylhexanoate?
(2S)-2-azaniumylhexanoate has a molecular weight of 131.18 g/mol, XLogP of -1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azaniumylhexanoate is sourced from PubChem (CID 6991974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).