3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid

C16H25N3O5 — CID 122010777

IUPAC3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OCc1cc(CNC(=O)N2CCC(C)(C(=O)O)C2)no1
InChIInChI=1S/C16H25N3O5/c1-15(2,3)23-9-12-7-11(18-24-12)8-17-14(22)19-6-5-16(4,10-19)13(20)21/h7H,5-6,8-10H2,1-4H3,(H,17,22)(H,20,21)
InChIKeyRDXSJKCGRHDJDO-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.00
Rot. Bonds5

About 3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122010777) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122010777
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)OCc1cc(CNC(=O)N2CCC(C)(C(=O)O)C2)no1
InChIInChI=1S/C16H25N3O5/c1-15(2,3)23-9-12-7-11(18-24-12)8-17-14(22)19-6-5-16(4,10-19)13(20)21/h7H,5-6,8-10H2,1-4H3,(H,17,22)(H,20,21)
InChIKeyRDXSJKCGRHDJDO-UHFFFAOYSA-N
XLogP2.00
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]-4-phenylazepane-1-carboxamide
CID 126811000
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114184272
1-[(4-tert-butyl-1,3-thiazol-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122001026
3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147322
1-[(4-carboxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122019901
1-[(5-methoxycarbonylthiophen-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122124215
3-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004642
1-[(4-ethylphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 106900484
1-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122017386
1-[[4-(4-methoxyphenyl)thiophen-2-yl]methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122004897
1-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 115991358
3-methyl-1-[2-(trifluoromethoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122011451

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 122010777) is 3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid is CC(C)(C)OCc1cc(CNC(=O)N2CCC(C)(C(=O)O)C2)no1.
What is the InChIKey of 3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RDXSJKCGRHDJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5/c1-15(2,3)23-9-12-7-11(18-24-12)8-17-14(22)19-6-5-16(4,10-19)13(20)21/h7H,5-6,8-10H2,1-4H3,(H,17,22)(H,20,21).
What are the key properties of 3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122010777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).