(2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid

C10H10N2O3S — CID 92864013

IUPAC(2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid
SMILESC[C@H](C(=O)O)N1C(=O)CSc2cccnc21
InChIInChI=1S/C10H10N2O3S/c1-6(10(14)15)12-8(13)5-16-7-3-2-4-11-9(7)12/h2-4,6H,5H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeySFWHOXMNFNTDPH-ZCFIWIBFSA-N
MW238.27 g/mol
LogP0.99
Rot. Bonds2

About (2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid

(2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid (PubChem CID 92864013) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is (2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid
PubChem CID92864013
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name(2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid
SMILESC[C@H](C(=O)O)N1C(=O)CSc2cccnc21
InChIInChI=1S/C10H10N2O3S/c1-6(10(14)15)12-8(13)5-16-7-3-2-4-11-9(7)12/h2-4,6H,5H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeySFWHOXMNFNTDPH-ZCFIWIBFSA-N
XLogP0.99
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-acetyl-3-oxo-1,4-benzothiazin-4-yl)propanoic acid
CID 84615306
(2R)-2-(2-oxopyrimidin-1-yl)propanoic acid
CID 124508593
2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)propanoic acid
CID 20887502
2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 2770225
2-[5-(4-methylphenyl)-3-oxo-1,4-thiazin-4-yl]propanoic acid
CID 82058314
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 58728330
2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid
CID 67201217
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 30885056
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate
CID 9064675
2-(2,7-dioxoazepan-1-yl)propanoic acid
CID 43446708
2-(3-chloro-2-pyridinyl)-5-oxo-1-propan-2-ylpyrazolidine-3-carboxylic acid;pyridine
CID 174199186

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid?
The IUPAC name of (2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid (CID 92864013) is (2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid?
The canonical SMILES for (2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid is C[C@H](C(=O)O)N1C(=O)CSc2cccnc21.
What is the InChIKey of (2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid?
The InChIKey is SFWHOXMNFNTDPH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-6(10(14)15)12-8(13)5-16-7-3-2-4-11-9(7)12/h2-4,6H,5H2,1H3,(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid?
(2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid has a molecular weight of 238.27 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-oxopyrido[3,2-b][1,4]thiazin-4-yl)propanoic acid is sourced from PubChem (CID 92864013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).