2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid

C11H14N2O4S — CID 129401273

IUPAC2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1nscc1C(=O)N1CCO[C@@H](CC(=O)O)C1
InChIInChI=1S/C11H14N2O4S/c1-7-9(6-18-12-7)11(16)13-2-3-17-8(5-13)4-10(14)15/h6,8H,2-5H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyDVABNFUCQFGFIR-QMMMGPOBSA-N
MW270.31 g/mol
LogP0.77
Rot. Bonds3

About 2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid

2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 129401273) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
PubChem CID129401273
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
SMILESCc1nscc1C(=O)N1CCO[C@@H](CC(=O)O)C1
InChIInChI=1S/C11H14N2O4S/c1-7-9(6-18-12-7)11(16)13-2-3-17-8(5-13)4-10(14)15/h6,8H,2-5H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyDVABNFUCQFGFIR-QMMMGPOBSA-N
XLogP0.77
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
CID 120527700
2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 66420176
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-(5-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66420781
2-[4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholin-2-yl]acetic acid
CID 104669797
2-[4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527656
2-[4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 115731600
2-[4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 102810250
2-[(2R)-4-(5-methyl-1-phenylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697804

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid (CID 129401273) is 2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid is Cc1nscc1C(=O)N1CCO[C@@H](CC(=O)O)C1.
What is the InChIKey of 2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is DVABNFUCQFGFIR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-7-9(6-18-12-7)11(16)13-2-3-17-8(5-13)4-10(14)15/h6,8H,2-5H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of 2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid?
2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 270.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 129401273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).