3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid

C15H16N2O4 — CID 136556162

IUPAC3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
SMILESCc1conc1C(=O)N(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C15H16N2O4/c1-11-10-21-16-14(11)15(20)17(8-7-13(18)19)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,18,19)
InChIKeyNSMCPPLLGLLSDO-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.10
Rot. Bonds6

About 3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid

3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid (PubChem CID 136556162) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
PubChem CID136556162
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
SMILESCc1conc1C(=O)N(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C15H16N2O4/c1-11-10-21-16-14(11)15(20)17(8-7-13(18)19)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,18,19)
InChIKeyNSMCPPLLGLLSDO-UHFFFAOYSA-N
XLogP2.10
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[benzyl(pentanoyl)amino]propanoic acid
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3-[3-[acetyl(benzyl)amino]propanoyl-methylamino]propanoic acid
CID 119232553
N-benzyl-3-methyl-N-(2-phenylethyl)-1,2-oxazole-5-carboxamide
CID 78811228
N-benzyl-N-(2-bromoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 80661970
3-[carboxymethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324586
4-[acetyl(benzyl)amino]butanoic acid
CID 92930357
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811482
azane;3-(dibenzylamino)propanoic acid
CID 162310692

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid (CID 136556162) is 3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid is Cc1conc1C(=O)N(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
The InChIKey is NSMCPPLLGLLSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-11-10-21-16-14(11)15(20)17(8-7-13(18)19)9-12-5-3-2-4-6-12/h2-6,10H,7-9H2,1H3,(H,18,19).
What are the key properties of 3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid?
3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(4-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 136556162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).