(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid

C12H12N2O4S — CID 119244415

IUPAC(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1coc(-c2cccs2)n1)C(=O)O
InChIInChI=1S/C12H12N2O4S/c1-7(12(16)17)13-10(15)5-8-6-18-11(14-8)9-3-2-4-19-9/h2-4,6-7H,5H2,1H3,(H,13,15)(H,16,17)/t7-/m1/s1
InChIKeyKMKIDTRTOCMLFY-SSDOTTSWSA-N
MW280.30 g/mol
LogP1.53
Rot. Bonds5

About (2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid

(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 119244415) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is (2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
PubChem CID119244415
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1coc(-c2cccs2)n1)C(=O)O
InChIInChI=1S/C12H12N2O4S/c1-7(12(16)17)13-10(15)5-8-6-18-11(14-8)9-3-2-4-19-9/h2-4,6-7H,5H2,1H3,(H,13,15)(H,16,17)/t7-/m1/s1
InChIKeyKMKIDTRTOCMLFY-SSDOTTSWSA-N
XLogP1.53
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid
CID 119199569
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823
N-(2-amino-1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119613142
N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111463482
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119190564
N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide
CID 42209438
2-[(3-methylphenyl)methyl]-3-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119243233
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684356
(2R)-2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanamide
CID 94483610
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55903525
N-(2-methylpiperidin-4-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 120599740

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid (CID 119244415) is (2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid is C[C@@H](NC(=O)Cc1coc(-c2cccs2)n1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is KMKIDTRTOCMLFY-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-7(12(16)17)13-10(15)5-8-6-18-11(14-8)9-3-2-4-19-9/h2-4,6-7H,5H2,1H3,(H,13,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 280.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119244415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).