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

C14H21N3O4 — CID 106978368

IUPAC1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NCc1cc(C)no1
InChIInChI=1S/C14H21N3O4/c1-3-5-14(12(18)19)6-4-7-17(14)13(20)15-9-11-8-10(2)16-21-11/h8H,3-7,9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyJUIZZMKTYNNHPZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.91
Rot. Bonds5

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

1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978368) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978368
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)NCc1cc(C)no1
InChIInChI=1S/C14H21N3O4/c1-3-5-14(12(18)19)6-4-7-17(14)13(20)15-9-11-8-10(2)16-21-11/h8H,3-7,9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyJUIZZMKTYNNHPZ-UHFFFAOYSA-N
XLogP1.91
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylthiophen-2-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978501
1-[(3-bromothiophen-2-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978504
1-[(5-methyl-3-pyridinyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 107586030
1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228
2-ethyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83070554
1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977113
1-[(4-methyloxan-4-yl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978587
1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976953
1-[(5-amino-5-oxopentyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106238959
1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978406
1-(2-imidazol-1-ylethylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978311
2-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83071216

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106978368) is 1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)NCc1cc(C)no1.
What is the InChIKey of 1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is JUIZZMKTYNNHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-5-14(12(18)19)6-4-7-17(14)13(20)15-9-11-8-10(2)16-21-11/h8H,3-7,9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).