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

C6H14N2O3 — CID 57084949

IUPAC(2S)-2,6-diamino-5-deuteriooxyhexanoic acid
SMILES[2H]OC(CN)CC[C@H](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/i9D
InChIKeyYSMODUONRAFBET-VWFDNFLJSA-N
MW163.20 g/mol
LogP-1.50
Rot. Bonds6

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

(2S)-2,6-diamino-5-deuteriooxyhexanoic acid (PubChem CID 57084949) has the molecular formula C6H14N2O3 and a molecular weight of 163.20 g/mol. Its IUPAC name is (2S)-2,6-diamino-5-deuteriooxyhexanoic acid.

Molecular Properties

Compound Name(2S)-2,6-diamino-5-deuteriooxyhexanoic acid
PubChem CID57084949
Molecular FormulaC6H14N2O3
Molecular Weight163.20 g/mol
Exact Mass163.11
IUPAC Name(2S)-2,6-diamino-5-deuteriooxyhexanoic acid
SMILES[2H]OC(CN)CC[C@H](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/i9D
InChIKeyYSMODUONRAFBET-VWFDNFLJSA-N
XLogP-1.50
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-1.50
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;hydrochloride
CID 2724399
2,6-diamino-5-hydroxyhexanoic acid;phosphoric acid
CID 21126144
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-aminohexanoic acid;(2S,5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 170901472
(2S)-2,6-diamino-5-chlorohexanoic acid
CID 87151672
2,4-diaminobutanoic acid
CID 158725018
2,3-diaminopropanoic acid
CID 160927094
2-amino-6-[(5-amino-5-carboxy-2-hydroxypentyl)amino]-5-hydroxyhexanoic acid
CID 73069397
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2R)-2-amino-5-methylhexanoic acid
CID 40537121

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-5-deuteriooxyhexanoic acid?
The IUPAC name of (2S)-2,6-diamino-5-deuteriooxyhexanoic acid (CID 57084949) is (2S)-2,6-diamino-5-deuteriooxyhexanoic acid.
What is the SMILES notation for (2S)-2,6-diamino-5-deuteriooxyhexanoic acid?
The canonical SMILES for (2S)-2,6-diamino-5-deuteriooxyhexanoic acid is [2H]OC(CN)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,6-diamino-5-deuteriooxyhexanoic acid?
The InChIKey is YSMODUONRAFBET-VWFDNFLJSA-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/i9D.
What are the key properties of (2S)-2,6-diamino-5-deuteriooxyhexanoic acid?
(2S)-2,6-diamino-5-deuteriooxyhexanoic acid has a molecular weight of 163.20 g/mol, XLogP of -1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-5-deuteriooxyhexanoic acid is sourced from PubChem (CID 57084949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).