(5S)-2,6-diamino-5-hydroxyhexanoic acid

C6H14N2O3 — CID 123323181

IUPAC(5S)-2,6-diamino-5-hydroxyhexanoic acid
SMILESNC[C@@H](O)CCC(N)C(=O)O
InChIInChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5?/m0/s1
InChIKeyYSMODUONRAFBET-ROLXFIACSA-N
MW162.19 g/mol
LogP-1.50
Rot. Bonds5

About (5S)-2,6-diamino-5-hydroxyhexanoic acid

(5S)-2,6-diamino-5-hydroxyhexanoic acid (PubChem CID 123323181) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is (5S)-2,6-diamino-5-hydroxyhexanoic acid.

Molecular Properties

Compound Name(5S)-2,6-diamino-5-hydroxyhexanoic acid
PubChem CID123323181
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name(5S)-2,6-diamino-5-hydroxyhexanoic acid
SMILESNC[C@@H](O)CCC(N)C(=O)O
InChIInChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5?/m0/s1
InChIKeyYSMODUONRAFBET-ROLXFIACSA-N
XLogP-1.50
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-diamino-5-hydroxyhexanoic acid;hydrochloride
CID 2724399
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;2,3,4,5,6-pentahydroxyhexanal
CID 175432317
2,6-diamino-5-hydroxyhexanoic acid;pyrrolidine-2-carboxylic acid
CID 22099142
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 (5S)-2,6-diamino-5-hydroxyhexanoic acid?
The IUPAC name of (5S)-2,6-diamino-5-hydroxyhexanoic acid (CID 123323181) is (5S)-2,6-diamino-5-hydroxyhexanoic acid.
What is the SMILES notation for (5S)-2,6-diamino-5-hydroxyhexanoic acid?
The canonical SMILES for (5S)-2,6-diamino-5-hydroxyhexanoic acid is NC[C@@H](O)CCC(N)C(=O)O.
What is the InChIKey of (5S)-2,6-diamino-5-hydroxyhexanoic acid?
The InChIKey is YSMODUONRAFBET-ROLXFIACSA-N. The full InChI is InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5?/m0/s1.
What are the key properties of (5S)-2,6-diamino-5-hydroxyhexanoic acid?
(5S)-2,6-diamino-5-hydroxyhexanoic acid has a molecular weight of 162.19 g/mol, XLogP of -1.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,6-diamino-5-hydroxyhexanoic acid is sourced from PubChem (CID 123323181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).