1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid

C10H12N2O4 — CID 66334626

IUPAC1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cnoc1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-6-5-11-16-8(6)9(13)12-4-2-3-7(12)10(14)15/h5,7H,2-4H2,1H3,(H,14,15)
InChIKeyYNOCDPPCEBJXOD-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.67
Rot. Bonds2

About 1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid

1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 66334626) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID66334626
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1cnoc1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H12N2O4/c1-6-5-11-16-8(6)9(13)12-4-2-3-7(12)10(14)15/h5,7H,2-4H2,1H3,(H,14,15)
InChIKeyYNOCDPPCEBJXOD-UHFFFAOYSA-N
XLogP0.67
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-hydroxy-1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 66335401
(2S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 81454302
1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209795
methyl 4-(4-methyl-1,2-oxazole-5-carbonyl)morpholine-3-carboxylate
CID 115670360
1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid
CID 15324304
(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28777862
(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78993916
3-(4-methyl-1,2-oxazole-5-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 66335399
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
1-(3-chloro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 63194302
(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 120537508

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 66334626) is 1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid is Cc1cnoc1C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YNOCDPPCEBJXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-5-11-16-8(6)9(13)12-4-2-3-7(12)10(14)15/h5,7H,2-4H2,1H3,(H,14,15).
What are the key properties of 1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66334626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).