(2S)-2,6-diamino-5-hydroxyhexanoyl chloride

C6H13ClN2O2 — CID 57041399

IUPAC(2S)-2,6-diamino-5-hydroxyhexanoyl chloride
SMILESNCC(O)CC[C@H](N)C(=O)Cl
InChIInChI=1S/C6H13ClN2O2/c7-6(11)5(9)2-1-4(10)3-8/h4-5,10H,1-3,8-9H2/t4?,5-/m0/s1
InChIKeyXQFMZVMLFKNIAA-AKGZTFGVSA-N
MW180.64 g/mol
LogP-0.82
Rot. Bonds5

About (2S)-2,6-diamino-5-hydroxyhexanoyl chloride

(2S)-2,6-diamino-5-hydroxyhexanoyl chloride (PubChem CID 57041399) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.64 g/mol. Its IUPAC name is (2S)-2,6-diamino-5-hydroxyhexanoyl chloride.

Molecular Properties

Compound Name(2S)-2,6-diamino-5-hydroxyhexanoyl chloride
PubChem CID57041399
Molecular FormulaC6H13ClN2O2
Molecular Weight180.64 g/mol
Exact Mass180.07
IUPAC Name(2S)-2,6-diamino-5-hydroxyhexanoyl chloride
SMILESNCC(O)CC[C@H](N)C(=O)Cl
InChIInChI=1S/C6H13ClN2O2/c7-6(11)5(9)2-1-4(10)3-8/h4-5,10H,1-3,8-9H2/t4?,5-/m0/s1
InChIKeyXQFMZVMLFKNIAA-AKGZTFGVSA-N
XLogP-0.82
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

(5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 123323181
2,6-diamino-5-hydroxyhexanoic acid;hydrochloride
CID 2724399
2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid
CID 21126144
(2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 170901472
(2S)-2,6-diamino-5-deuteriooxyhexanoic acid
CID 57084949
6-aminohexane-1,2,5-triol
CID 19694623
5-amino-4-hydroxy-2-methylpentanoyl chloride
CID 175367935
2-amino-3-sulfanylpropanoyl chloride
CID 23199161
2,6-diamino-5-hydroxyhexanoic acid;2,3,4,5,6-pentahydroxyhexanal
CID 175432317
2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid
CID 22099142
1,24-diaminotetracosane-2,23-diol
CID 175286632
(2S)-2,6-diamino-5-chlorohexanoic acid
CID 87151672

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-5-hydroxyhexanoyl chloride?
The IUPAC name of (2S)-2,6-diamino-5-hydroxyhexanoyl chloride (CID 57041399) is (2S)-2,6-diamino-5-hydroxyhexanoyl chloride.
What is the SMILES notation for (2S)-2,6-diamino-5-hydroxyhexanoyl chloride?
The canonical SMILES for (2S)-2,6-diamino-5-hydroxyhexanoyl chloride is NCC(O)CC[C@H](N)C(=O)Cl.
What is the InChIKey of (2S)-2,6-diamino-5-hydroxyhexanoyl chloride?
The InChIKey is XQFMZVMLFKNIAA-AKGZTFGVSA-N. The full InChI is InChI=1S/C6H13ClN2O2/c7-6(11)5(9)2-1-4(10)3-8/h4-5,10H,1-3,8-9H2/t4?,5-/m0/s1.
What are the key properties of (2S)-2,6-diamino-5-hydroxyhexanoyl chloride?
(2S)-2,6-diamino-5-hydroxyhexanoyl chloride has a molecular weight of 180.64 g/mol, XLogP of -0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-5-hydroxyhexanoyl chloride is sourced from PubChem (CID 57041399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).