1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid

C13H19N3O4 — CID 106374874

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCc1nc(CNC(=O)N2CCCC2(C)C(=O)O)oc1C
InChIInChI=1S/C13H19N3O4/c1-8-9(2)20-10(15-8)7-14-12(19)16-6-4-5-13(16,3)11(17)18/h4-7H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyPSUUPHALRIAKOU-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.44
Rot. Bonds3

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 106374874) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID106374874
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCc1nc(CNC(=O)N2CCCC2(C)C(=O)O)oc1C
InChIInChI=1S/C13H19N3O4/c1-8-9(2)20-10(15-8)7-14-12(19)16-6-4-5-13(16,3)11(17)18/h4-7H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyPSUUPHALRIAKOU-UHFFFAOYSA-N
XLogP1.44
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 106374898
2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 114180734
2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106370228
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111740072
2-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994653
1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597873
(3S)-3-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 95930872
1-(2-aminoethylcarbamoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597979
2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106404494
2-methyl-1-(2,3,3-trimethylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83144196
2-methyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644863
2-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 104598338

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid (CID 106374874) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid is Cc1nc(CNC(=O)N2CCCC2(C)C(=O)O)oc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is PSUUPHALRIAKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8-9(2)20-10(15-8)7-14-12(19)16-6-4-5-13(16,3)11(17)18/h4-7H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106374874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).