(2S)-2-aminohexanoate

C6H12NO2- — CID 6857453

IUPAC(2S)-2-aminohexanoate
SMILESCCCC[C@H](N)C(=O)[O-]
InChIInChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/p-1/t5-/m0/s1
InChIKeyLRQKBLKVPFOOQJ-YFKPBYRVSA-M
MW130.17 g/mol
LogP-0.75
Rot. Bonds4

About (2S)-2-aminohexanoate

(2S)-2-aminohexanoate (PubChem CID 6857453) has the molecular formula C6H12NO2- and a molecular weight of 130.17 g/mol. Its IUPAC name is (2S)-2-aminohexanoate.

Molecular Properties

Compound Name(2S)-2-aminohexanoate
PubChem CID6857453
Molecular FormulaC6H12NO2-
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(2S)-2-aminohexanoate
SMILESCCCC[C@H](N)C(=O)[O-]
InChIInChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/p-1/t5-/m0/s1
InChIKeyLRQKBLKVPFOOQJ-YFKPBYRVSA-M
XLogP-0.75
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminohexanoate?
The IUPAC name of (2S)-2-aminohexanoate (CID 6857453) is (2S)-2-aminohexanoate.
What is the SMILES notation for (2S)-2-aminohexanoate?
The canonical SMILES for (2S)-2-aminohexanoate is CCCC[C@H](N)C(=O)[O-].
What is the InChIKey of (2S)-2-aminohexanoate?
The InChIKey is LRQKBLKVPFOOQJ-YFKPBYRVSA-M. The full InChI is InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/p-1/t5-/m0/s1.
What are the key properties of (2S)-2-aminohexanoate?
(2S)-2-aminohexanoate has a molecular weight of 130.17 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminohexanoate is sourced from PubChem (CID 6857453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).