2,6-diamino-5-hydroxyhexanoic acid;hydrochloride

C6H15ClN2O3 — CID 2724399

IUPAC2,6-diamino-5-hydroxyhexanoic acid;hydrochloride
SMILESCl.NCC(O)CCC(N)C(=O)O
InChIInChI=1S/C6H14N2O3.ClH/c7-3-4(9)1-2-5(8)6(10)11;/h4-5,9H,1-3,7-8H2,(H,10,11);1H
InChIKeyMJXVOTKVFFAZQJ-UHFFFAOYSA-N
MW198.65 g/mol
LogP-1.08
Rot. Bonds5

About 2,6-diamino-5-hydroxyhexanoic acid;hydrochloride

2,6-diamino-5-hydroxyhexanoic acid;hydrochloride (PubChem CID 2724399) has the molecular formula C6H15ClN2O3 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2,6-diamino-5-hydroxyhexanoic acid;hydrochloride.

Molecular Properties

Compound Name2,6-diamino-5-hydroxyhexanoic acid;hydrochloride
PubChem CID2724399
Molecular FormulaC6H15ClN2O3
Molecular Weight198.65 g/mol
Exact Mass198.08
IUPAC Name2,6-diamino-5-hydroxyhexanoic acid;hydrochloride
SMILESCl.NCC(O)CCC(N)C(=O)O
InChIInChI=1S/C6H14N2O3.ClH/c7-3-4(9)1-2-5(8)6(10)11;/h4-5,9H,1-3,7-8H2,(H,10,11);1H
InChIKeyMJXVOTKVFFAZQJ-UHFFFAOYSA-N
XLogP-1.08
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 123323181
2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid
CID 21126144
(2S)-2,6-diamino-5-deuteriooxyhexanoic acid
CID 57084949
(2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 170901472
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2,6-diamino-5-hydroxyhexanoyl chloride
CID 57041399
2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid
CID 22099142
2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal
CID 175432317
2-amino-6-[(5-amino-5-carboxy-2-hydroxypentyl)amino]-5-hydroxyhexanoic acid
CID 73069397
(2S)-2,6-diamino-5-chlorohexanoic acid
CID 87151672
2,4-diaminobutanoic acid
CID 158725018
2,3-diaminopropanoic acid
CID 160927094

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-5-hydroxyhexanoic acid;hydrochloride?
The IUPAC name of 2,6-diamino-5-hydroxyhexanoic acid;hydrochloride (CID 2724399) is 2,6-diamino-5-hydroxyhexanoic acid;hydrochloride.
What is the SMILES notation for 2,6-diamino-5-hydroxyhexanoic acid;hydrochloride?
The canonical SMILES for 2,6-diamino-5-hydroxyhexanoic acid;hydrochloride is Cl.NCC(O)CCC(N)C(=O)O.
What is the InChIKey of 2,6-diamino-5-hydroxyhexanoic acid;hydrochloride?
The InChIKey is MJXVOTKVFFAZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3.ClH/c7-3-4(9)1-2-5(8)6(10)11;/h4-5,9H,1-3,7-8H2,(H,10,11);1H.
What are the key properties of 2,6-diamino-5-hydroxyhexanoic acid;hydrochloride?
2,6-diamino-5-hydroxyhexanoic acid;hydrochloride has a molecular weight of 198.65 g/mol, XLogP of -1.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-5-hydroxyhexanoic acid;hydrochloride is sourced from PubChem (CID 2724399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).