1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

C11H15N3O4 — CID 55151558

IUPAC1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(NC(=O)CN2CCC(C(=O)O)C2)on1
InChIInChI=1S/C11H15N3O4/c1-7-4-10(18-13-7)12-9(15)6-14-3-2-8(5-14)11(16)17/h4,8H,2-3,5-6H2,1H3,(H,12,15)(H,16,17)
InChIKeyKJKPFRNOQPCHIB-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.33
Rot. Bonds4

About 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 55151558) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID55151558
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCc1cc(NC(=O)CN2CCC(C(=O)O)C2)on1
InChIInChI=1S/C11H15N3O4/c1-7-4-10(18-13-7)12-9(15)6-14-3-2-8(5-14)11(16)17/h4,8H,2-3,5-6H2,1H3,(H,12,15)(H,16,17)
InChIKeyKJKPFRNOQPCHIB-UHFFFAOYSA-N
XLogP0.33
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate
CID 113225035
methyl (3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 79037832
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 51339916
ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 51288846
N-(3-methyl-1,2-oxazol-5-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 51088987
1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444073
(3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 94378651
2-[3-(methylamino)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119920207
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 63595182
N-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylacetamide
CID 3045297
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 114395286
1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904700

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 55151558) is 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is Cc1cc(NC(=O)CN2CCC(C(=O)O)C2)on1.
What is the InChIKey of 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is KJKPFRNOQPCHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-4-10(18-13-7)12-9(15)6-14-3-2-8(5-14)11(16)17/h4,8H,2-3,5-6H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55151558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).