2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid

C9H16N2O5S — CID 66174891

IUPAC2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid
SMILESCC(O)(CNC(=O)N1CCS(=O)CC1)C(=O)O
InChIInChI=1S/C9H16N2O5S/c1-9(15,7(12)13)6-10-8(14)11-2-4-17(16)5-3-11/h15H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyULZKYULZPGEJIR-UHFFFAOYSA-N
MW264.30 g/mol
LogP-1.40
Rot. Bonds3

About 2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid

2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid (PubChem CID 66174891) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid
PubChem CID66174891
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Name2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid
SMILESCC(O)(CNC(=O)N1CCS(=O)CC1)C(=O)O
InChIInChI=1S/C9H16N2O5S/c1-9(15,7(12)13)6-10-8(14)11-2-4-17(16)5-3-11/h15H,2-6H2,1H3,(H,10,14)(H,12,13)
InChIKeyULZKYULZPGEJIR-UHFFFAOYSA-N
XLogP-1.40
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepane-1-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173450
2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid
CID 66177206
2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
CID 66173250
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174638
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 106670648
2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid
CID 102744953
2-hydroxy-3-[[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]amino]-2-methylpropanoic acid
CID 107223998
3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172435
3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66176994
N-(2-hydroxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 78951144
3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173453
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid (CID 66174891) is 2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid is CC(O)(CNC(=O)N1CCS(=O)CC1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid?
The InChIKey is ULZKYULZPGEJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-9(15,7(12)13)6-10-8(14)11-2-4-17(16)5-3-11/h15H,2-6H2,1H3,(H,10,14)(H,12,13).
What are the key properties of 2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid?
2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid has a molecular weight of 264.30 g/mol, XLogP of -1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66174891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).