2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid

C13H18N4O5S — CID 23821726

IUPAC2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1csc(NC(=O)N2CCOCC2)n1)C(=O)O
InChIInChI=1S/C13H18N4O5S/c1-8(11(19)20)14-10(18)6-9-7-23-12(15-9)16-13(21)17-2-4-22-5-3-17/h7-8H,2-6H2,1H3,(H,14,18)(H,19,20)(H,15,16,21)
InChIKeySHNJFDFVWSJLKR-UHFFFAOYSA-N
MW342.38 g/mol
LogP0.14
Rot. Bonds5

About 2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid

2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid (PubChem CID 23821726) has the molecular formula C13H18N4O5S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
PubChem CID23821726
Molecular FormulaC13H18N4O5S
Molecular Weight342.38 g/mol
Exact Mass342.10
IUPAC Name2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1csc(NC(=O)N2CCOCC2)n1)C(=O)O
InChIInChI=1S/C13H18N4O5S/c1-8(11(19)20)14-10(18)6-9-7-23-12(15-9)16-13(21)17-2-4-22-5-3-17/h7-8H,2-6H2,1H3,(H,14,18)(H,19,20)(H,15,16,21)
InChIKeySHNJFDFVWSJLKR-UHFFFAOYSA-N
XLogP0.14
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid with MolForge

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Related Compounds

ethyl 4-[[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate
CID 42437103
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302
N-(4-cyclopropyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47200518
ethyl 4-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate
CID 42437024
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
2-(2-amino-1,3-thiazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 55120172
4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655746
N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71856476
N-cyclopropyl-4-methoxy-N-[2-[[4-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 1031044
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid (CID 23821726) is 2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid is CC(NC(=O)Cc1csc(NC(=O)N2CCOCC2)n1)C(=O)O.
What is the InChIKey of 2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
The InChIKey is SHNJFDFVWSJLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O5S/c1-8(11(19)20)14-10(18)6-9-7-23-12(15-9)16-13(21)17-2-4-22-5-3-17/h7-8H,2-6H2,1H3,(H,14,18)(H,19,20)(H,15,16,21).
What are the key properties of 2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid?
2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid has a molecular weight of 342.38 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(morpholine-4-carbonylamino)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 23821726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).