3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid

C8H11N3O3 — CID 105450484

IUPAC3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid
SMILESNc1noc(C2CCCN2)c1C(=O)O
InChIInChI=1S/C8H11N3O3/c9-7-5(8(12)13)6(14-11-7)4-2-1-3-10-4/h4,10H,1-3H2,(H2,9,11)(H,12,13)
InChIKeyZCAWYBVUJNCDDP-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.38
Rot. Bonds2

About 3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid

3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 105450484) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID105450484
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid
SMILESNc1noc(C2CCCN2)c1C(=O)O
InChIInChI=1S/C8H11N3O3/c9-7-5(8(12)13)6(14-11-7)4-2-1-3-10-4/h4,10H,1-3H2,(H2,9,11)(H,12,13)
InChIKeyZCAWYBVUJNCDDP-UHFFFAOYSA-N
XLogP0.38
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole
CID 83846525
5-piperidin-2-yl-1,2-oxazol-4-amine
CID 115093519
5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde
CID 115093494
5-pyrrolidin-2-yl-1,2-oxazol-3-amine
CID 115094046
3,4-dimethyl-5-piperidin-2-yl-1,2-oxazole
CID 83846534
2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid
CID 66519029
5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid
CID 165464255
5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole-3-carboxylic acid
CID 125449320
3-piperidin-2-yl-1,2-oxazole-4-carboxylic acid
CID 102537895
5-pyrrolidin-2-ylpyridine-2-carboxylic acid
CID 55296830
4-pyrrolidin-2-yl-1,2-oxazol-5-amine
CID 105429881
3-tert-butyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 69256891

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid (CID 105450484) is 3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid is Nc1noc(C2CCCN2)c1C(=O)O.
What is the InChIKey of 3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is ZCAWYBVUJNCDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-7-5(8(12)13)6(14-11-7)4-2-1-3-10-4/h4,10H,1-3H2,(H2,9,11)(H,12,13).
What are the key properties of 3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid?
3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-pyrrolidin-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 105450484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).