(3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid

C5H10N2O4 — CID 93495387

IUPAC(3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid
SMILESO=C(O)[C@@H]1NNC[C@H](O)[C@@H]1O
InChIInChI=1S/C5H10N2O4/c8-2-1-6-7-3(4(2)9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m0/s1
InChIKeyZDNVZJKILKPFDY-NUNKFHFFSA-N
MW162.14 g/mol
LogP-2.73
Rot. Bonds1

About (3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid

(3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid (PubChem CID 93495387) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is (3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid
PubChem CID93495387
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name(3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid
SMILESO=C(O)[C@@H]1NNC[C@H](O)[C@@H]1O
InChIInChI=1S/C5H10N2O4/c8-2-1-6-7-3(4(2)9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m0/s1
InChIKeyZDNVZJKILKPFDY-NUNKFHFFSA-N
XLogP-2.73
TPSA101.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-2.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R,5R)-4,5-dihydroxydiazinane-3-carboxylic acid
CID 93495388
4,5-dihydroxydiazinane-3-carboxylic acid
CID 45082434
diazinane-3,4,5-tricarboxylic acid
CID 141079262
(2S,3S,4R,5R)-3,5-dihydroxy-4-methylpiperidine-2-carboxylic acid
CID 163596404
(3S,5R)-5-hydroxydiazinane-3-carboxylic acid
CID 92557182
(3R)-diazinane-3,4-dicarboxylic acid
CID 70072586
(2S,3R,4S)-4-amino-3-hydroxypyrrolidine-2-carboxylic acid
CID 11744767
(3S,5S)-5-hydroxydiazinane-3-carboxylic acid
CID 11062517
(2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid
CID 68541802
(2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67428099
3-ethyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 155895517
(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid?
The IUPAC name of (3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid (CID 93495387) is (3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid.
What is the SMILES notation for (3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid?
The canonical SMILES for (3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid is O=C(O)[C@@H]1NNC[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid?
The InChIKey is ZDNVZJKILKPFDY-NUNKFHFFSA-N. The full InChI is InChI=1S/C5H10N2O4/c8-2-1-6-7-3(4(2)9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m0/s1.
What are the key properties of (3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid?
(3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid has a molecular weight of 162.14 g/mol, XLogP of -2.73, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4,5-dihydroxydiazinane-3-carboxylic acid is sourced from PubChem (CID 93495387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).