(3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid

C14H20N2O5S — CID 125152734

IUPAC(3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
SMILESCCO[C@@H](C)c1nc(CC(=O)N2CCOC[C@@H]2C(=O)O)cs1
InChIInChI=1S/C14H20N2O5S/c1-3-21-9(2)13-15-10(8-22-13)6-12(17)16-4-5-20-7-11(16)14(18)19/h8-9,11H,3-7H2,1-2H3,(H,18,19)/t9-,11+/m0/s1
InChIKeyQDNYAGZXTHGAGV-GXSJLCMTSA-N
MW328.39 g/mol
LogP1.10
Rot. Bonds6

About (3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid

(3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid (PubChem CID 125152734) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is (3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
PubChem CID125152734
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name(3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
SMILESCCO[C@@H](C)c1nc(CC(=O)N2CCOC[C@@H]2C(=O)O)cs1
InChIInChI=1S/C14H20N2O5S/c1-3-21-9(2)13-15-10(8-22-13)6-12(17)16-4-5-20-7-11(16)14(18)19/h8-9,11H,3-7H2,1-2H3,(H,18,19)/t9-,11+/m0/s1
InChIKeyQDNYAGZXTHGAGV-GXSJLCMTSA-N
XLogP1.10
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid with MolForge

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Related Compounds

1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone
CID 122149082
(3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125133146
3-[(2R)-1-[2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124683577
1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 129326628
1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 128996947
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
CID 124590393
4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid
CID 112555118
methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119493097
1-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]ethanone
CID 96512780
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 120880213
4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
CID 119216735

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid (CID 125152734) is (3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid is CCO[C@@H](C)c1nc(CC(=O)N2CCOC[C@@H]2C(=O)O)cs1.
What is the InChIKey of (3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid?
The InChIKey is QDNYAGZXTHGAGV-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-3-21-9(2)13-15-10(8-22-13)6-12(17)16-4-5-20-7-11(16)14(18)19/h8-9,11H,3-7H2,1-2H3,(H,18,19)/t9-,11+/m0/s1.
What are the key properties of (3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid?
(3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid has a molecular weight of 328.39 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125152734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).