(2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid

C12H14N2O4S — CID 129410663

IUPAC(2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid
SMILESCc1nc(/C=C\C(=O)N2CCO[C@@H](C(=O)O)C2)cs1
InChIInChI=1S/C12H14N2O4S/c1-8-13-9(7-19-8)2-3-11(15)14-4-5-18-10(6-14)12(16)17/h2-3,7,10H,4-6H2,1H3,(H,16,17)/b3-2-/t10-/m1/s1
InChIKeyUCUDZNYHYCIDLQ-MXQLGCADSA-N
MW282.32 g/mol
LogP0.78
Rot. Bonds3

About (2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid

(2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid (PubChem CID 129410663) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is (2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid
PubChem CID129410663
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name(2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid
SMILESCc1nc(/C=C\C(=O)N2CCO[C@@H](C(=O)O)C2)cs1
InChIInChI=1S/C12H14N2O4S/c1-8-13-9(7-19-8)2-3-11(15)14-4-5-18-10(6-14)12(16)17/h2-3,7,10H,4-6H2,1H3,(H,16,17)/b3-2-/t10-/m1/s1
InChIKeyUCUDZNYHYCIDLQ-MXQLGCADSA-N
XLogP0.78
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-(5-bromothiophen-3-yl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 126796045
2-[1-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperidin-3-yl]acetic acid
CID 76954170
2-[1-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperidin-4-yl]acetic acid
CID 79614945
2-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 79363987
3-[1-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperidin-4-yl]propanoic acid
CID 76937524
(E)-1-(4-methyl-1,4-diazepan-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 78835941
4-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 129009152
4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 76918600
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 110887273
4-ethyl-1-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]piperidine-2-carboxylic acid
CID 114427083
(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129397501
4-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]morpholine-2-carboxylic acid
CID 126796027

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid (CID 129410663) is (2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid is Cc1nc(/C=C\C(=O)N2CCO[C@@H](C(=O)O)C2)cs1.
What is the InChIKey of (2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid?
The InChIKey is UCUDZNYHYCIDLQ-MXQLGCADSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-8-13-9(7-19-8)2-3-11(15)14-4-5-18-10(6-14)12(16)17/h2-3,7,10H,4-6H2,1H3,(H,16,17)/b3-2-/t10-/m1/s1.
What are the key properties of (2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid?
(2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid has a molecular weight of 282.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(Z)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 129410663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).