(2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid

C16H18N2O4 — CID 129401481

IUPAC(2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid
SMILESCc1cc(CC(=O)Nc2ccc(C[C@@H](C)C(=O)O)cc2)no1
InChIInChI=1S/C16H18N2O4/c1-10(16(20)21)7-12-3-5-13(6-4-12)17-15(19)9-14-8-11(2)22-18-14/h3-6,8,10H,7,9H2,1-2H3,(H,17,19)(H,20,21)/t10-/m1/s1
InChIKeyGPVZIJFSVKSPFM-SNVBAGLBSA-N
MW302.33 g/mol
LogP2.43
Rot. Bonds6

About (2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid

(2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid (PubChem CID 129401481) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid
PubChem CID129401481
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid
SMILESCc1cc(CC(=O)Nc2ccc(C[C@@H](C)C(=O)O)cc2)no1
InChIInChI=1S/C16H18N2O4/c1-10(16(20)21)7-12-3-5-13(6-4-12)17-15(19)9-14-8-11(2)22-18-14/h3-6,8,10H,7,9H2,1-2H3,(H,17,19)(H,20,21)/t10-/m1/s1
InChIKeyGPVZIJFSVKSPFM-SNVBAGLBSA-N
XLogP2.43
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-Diisopropyl-phenyl)-2-(5-dodecyl-isoxazol-3-yl)-2-phenyl-acetamide
CID 10720988
N-(2,4-Difluoro-phenyl)-2-(5-dodecyl-isoxazol-3-yl)-2-phenyl-acetamide
CID 18955388
(3R)-5-(2-chloro-4-methylanilino)-3-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclobutyl]-1,2-oxazol-3-yl]-5-oxopentanoic acid
CID 71127470
3-[4-(Cyclopentanecarbonylamino)phenyl]-2,1-benzoxazole-5-carboxylic acid
CID 168285242
3-[4-(2-Methylpropanoylamino)phenyl]-2,1-benzoxazole-5-carboxylic acid
CID 168297186
2-(1,2-benzisoxazol-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 1235351
2-(5-phenyl-1,2-oxazol-3-yl)-N-propylacetamide
CID 16878272
2-(5-phenyl-1,2-oxazol-3-yl)-N-propan-2-ylacetamide
CID 16878274
N-phenyl-2-(5-phenylisoxazol-3-yl)acetamide
CID 16878309
N-(2-methylphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878310
N-(3-methylphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878311
N-(4-methylphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878312

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid?
The IUPAC name of (2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid (CID 129401481) is (2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid?
The canonical SMILES for (2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid is Cc1cc(CC(=O)Nc2ccc(C[C@@H](C)C(=O)O)cc2)no1.
What is the InChIKey of (2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid?
The InChIKey is GPVZIJFSVKSPFM-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10(16(20)21)7-12-3-5-13(6-4-12)17-15(19)9-14-8-11(2)22-18-14/h3-6,8,10H,7,9H2,1-2H3,(H,17,19)(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid?
(2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid has a molecular weight of 302.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 129401481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).