(2S)-2-aminohexanoic acid;dihydrochloride

C6H15Cl2NO2 — CID 142770522

IUPAC(2S)-2-aminohexanoic acid;dihydrochloride
SMILESCCCC[C@H](N)C(=O)O.Cl.Cl
InChIInChI=1S/C6H13NO2.2ClH/c1-2-3-4-5(7)6(8)9;;/h5H,2-4,7H2,1H3,(H,8,9);2*1H/t5-;;/m0../s1
InChIKeyQBAIOPZNPXCHFM-XRIGFGBMSA-N
MW204.10 g/mol
LogP1.43
Rot. Bonds4

About (2S)-2-aminohexanoic acid;dihydrochloride

(2S)-2-aminohexanoic acid;dihydrochloride (PubChem CID 142770522) has the molecular formula C6H15Cl2NO2 and a molecular weight of 204.10 g/mol. Its IUPAC name is (2S)-2-aminohexanoic acid;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-aminohexanoic acid;dihydrochloride
PubChem CID142770522
Molecular FormulaC6H15Cl2NO2
Molecular Weight204.10 g/mol
Exact Mass203.05
IUPAC Name(2S)-2-aminohexanoic acid;dihydrochloride
SMILESCCCC[C@H](N)C(=O)O.Cl.Cl
InChIInChI=1S/C6H13NO2.2ClH/c1-2-3-4-5(7)6(8)9;;/h5H,2-4,7H2,1H3,(H,8,9);2*1H/t5-;;/m0../s1
InChIKeyQBAIOPZNPXCHFM-XRIGFGBMSA-N
XLogP1.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-aminohexanoic acid;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
(2S)-2-aminododecanoic acid
CID 10560640
(2S)-2-aminohexanoic acid;(2S)-2-aminopentanedioic acid
CID 87638695
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143
2-aminohexadecanoic acid;azane
CID 175267671
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
2-aminopentanoic acid;pentanoic acid
CID 158644900
(2S)-2-aminohexanoic acid;(2S)-2-amino-4-methylsulfinylbutanoic acid
CID 90017502
(2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 170901472
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminohexanoic acid;dihydrochloride?
The IUPAC name of (2S)-2-aminohexanoic acid;dihydrochloride (CID 142770522) is (2S)-2-aminohexanoic acid;dihydrochloride.
What is the SMILES notation for (2S)-2-aminohexanoic acid;dihydrochloride?
The canonical SMILES for (2S)-2-aminohexanoic acid;dihydrochloride is CCCC[C@H](N)C(=O)O.Cl.Cl.
What is the InChIKey of (2S)-2-aminohexanoic acid;dihydrochloride?
The InChIKey is QBAIOPZNPXCHFM-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H13NO2.2ClH/c1-2-3-4-5(7)6(8)9;;/h5H,2-4,7H2,1H3,(H,8,9);2*1H/t5-;;/m0../s1.
What are the key properties of (2S)-2-aminohexanoic acid;dihydrochloride?
(2S)-2-aminohexanoic acid;dihydrochloride has a molecular weight of 204.10 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminohexanoic acid;dihydrochloride is sourced from PubChem (CID 142770522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).