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

C14H16N2O4S — CID 119199569

IUPAC2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)Cc1coc(-c2cccs2)n1)C(=O)O
InChIInChI=1S/C14H16N2O4S/c1-3-14(2,13(18)19)16-11(17)7-9-8-20-12(15-9)10-5-4-6-21-10/h4-6,8H,3,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGTNLSGYRCBBDDN-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.32
Rot. Bonds6

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

2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid (PubChem CID 119199569) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid
PubChem CID119199569
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)Cc1coc(-c2cccs2)n1)C(=O)O
InChIInChI=1S/C14H16N2O4S/c1-3-14(2,13(18)19)16-11(17)7-9-8-20-12(15-9)10-5-4-6-21-10/h4-6,8H,3,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGTNLSGYRCBBDDN-UHFFFAOYSA-N
XLogP2.32
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111463482
(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119244415
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111481185
2-[(3-methylphenyl)methyl]-3-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119243233
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
N-(2-amino-1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119613142
3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119190564
N-(2-methylpiperidin-4-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 120599740
N-[(2R)-4-oxo-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylamino]butan-2-yl]benzamide
CID 42209438
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111486232
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid (CID 119199569) is 2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid is CCC(C)(NC(=O)Cc1coc(-c2cccs2)n1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid?
The InChIKey is GTNLSGYRCBBDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-3-14(2,13(18)19)16-11(17)7-9-8-20-12(15-9)10-5-4-6-21-10/h4-6,8H,3,7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid?
2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid has a molecular weight of 308.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 119199569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).