(3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid

C8H10N2O3 — CID 28875677

IUPAC(3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2ccon2)C1
InChIInChI=1S/C8H10N2O3/c11-8(12)6-1-3-10(5-6)7-2-4-13-9-7/h2,4,6H,1,3,5H2,(H,11,12)/t6-/m1/s1
InChIKeyFRRPMDVFPPQBQL-ZCFIWIBFSA-N
MW182.18 g/mol
LogP0.59
Rot. Bonds2

About (3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid

(3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 28875677) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID28875677
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2ccon2)C1
InChIInChI=1S/C8H10N2O3/c11-8(12)6-1-3-10(5-6)7-2-4-13-9-7/h2,4,6H,1,3,5H2,(H,11,12)/t6-/m1/s1
InChIKeyFRRPMDVFPPQBQL-ZCFIWIBFSA-N
XLogP0.59
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032522
1-(1,2-oxazol-3-yl)piperidine-4-carboximidamide
CID 142630677
1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 178108022
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 129353758
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048451
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79825655
1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
CID 175313249

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid (CID 28875677) is (3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(c2ccon2)C1.
What is the InChIKey of (3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is FRRPMDVFPPQBQL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-8(12)6-1-3-10(5-6)7-2-4-13-9-7/h2,4,6H,1,3,5H2,(H,11,12)/t6-/m1/s1.
What are the key properties of (3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid?
(3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 28875677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).