(2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid

C10H16N2O5S — CID 78999935

IUPAC(2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)N1CCS(=O)CC1
InChIInChI=1S/C10H16N2O5S/c13-7-5-8(9(14)15)12(6-7)10(16)11-1-3-18(17)4-2-11/h7-8,13H,1-6H2,(H,14,15)/t7-,8-/m1/s1
InChIKeyQCRLNRPLODFUTA-HTQZYQBOSA-N
MW276.31 g/mol
LogP-1.31
Rot. Bonds1

About (2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78999935) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78999935
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name(2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)N1CCS(=O)CC1
InChIInChI=1S/C10H16N2O5S/c13-7-5-8(9(14)15)12(6-7)10(16)11-1-3-18(17)4-2-11/h7-8,13H,1-6H2,(H,14,15)/t7-,8-/m1/s1
InChIKeyQCRLNRPLODFUTA-HTQZYQBOSA-N
XLogP-1.31
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-hydroxy-1-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714272
4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187508
(2S,4R)-4-hydroxy-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844220
4-hydroxy-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55032221
(2S,4R)-1-(4-acetyl-1,4-diazepane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842357
1-(4-cyclopropylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61442844
(2R,4R)-1-[4-(dimethylamino)piperidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999818
(2S,4R)-1-[4-(dimethylamino)piperidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844233
(2R,4R)-1-(4-carbamoylpiperidine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000013
(2S,4R)-4-hydroxy-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 103500463
(2S,4R)-4-hydroxy-1-(4-hydroxy-4-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 81115602
(2S,4R)-1-(4-ethylpiperazine-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843711

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 78999935) is (2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)N1CCS(=O)CC1.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QCRLNRPLODFUTA-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16N2O5S/c13-7-5-8(9(14)15)12(6-7)10(16)11-1-3-18(17)4-2-11/h7-8,13H,1-6H2,(H,14,15)/t7-,8-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 276.31 g/mol, XLogP of -1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78999935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).