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

C16H20N2O4S — CID 119190564

IUPAC3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C16H20N2O4S/c1-11(2)9-18(6-5-15(20)21)14(19)8-12-10-22-16(17-12)13-4-3-7-23-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,20,21)
InChIKeyGLSLFQKCIVJKCP-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.90
Rot. Bonds8

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

3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid (PubChem CID 119190564) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
PubChem CID119190564
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C16H20N2O4S/c1-11(2)9-18(6-5-15(20)21)14(19)8-12-10-22-16(17-12)13-4-3-7-23-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,20,21)
InChIKeyGLSLFQKCIVJKCP-UHFFFAOYSA-N
XLogP2.90
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119244415
4-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]butanoic acid
CID 55006274
2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid
CID 119199569
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-(2-methylpropyl)amino]acetic acid
CID 119193245
N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111463482
2-[(3-methylphenyl)methyl]-3-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119243233
3-[2-methylpropyl(2-thiophen-2-ylpropanoyl)amino]propanoic acid
CID 119190248
methyl 3-[2-methylpropyl-(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 55892178
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)propan-1-ol
CID 115083578
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684356
N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 62686633

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid (CID 119190564) is 3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)Cc1coc(-c2cccs2)n1.
What is the InChIKey of 3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
The InChIKey is GLSLFQKCIVJKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11(2)9-18(6-5-15(20)21)14(19)8-12-10-22-16(17-12)13-4-3-7-23-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,20,21).
What are the key properties of 3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid?
3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid has a molecular weight of 336.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119190564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).