4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

C10H13N3O5 — CID 106421054

IUPAC4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)NCc1ccno1
InChIInChI=1S/C10H13N3O5/c14-6-3-8(9(15)16)13(5-6)10(17)11-4-7-1-2-12-18-7/h1-2,6,8,14H,3-5H2,(H,11,17)(H,15,16)
InChIKeyHOWFZVQCWXXOGY-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.60
Rot. Bonds3

About 4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 106421054) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID106421054
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)NCc1ccno1
InChIInChI=1S/C10H13N3O5/c14-6-3-8(9(15)16)13(5-6)10(17)11-4-7-1-2-12-18-7/h1-2,6,8,14H,3-5H2,(H,11,17)(H,15,16)
InChIKeyHOWFZVQCWXXOGY-UHFFFAOYSA-N
XLogP-0.60
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 106421059
4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61200630
(2S,4R)-4-hydroxy-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778308
(2R,4R)-1-[(3,4-difluorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000456
(2S)-1-[(2-fluorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61189505
(2S,4R)-1-[(5-ethylthiophen-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106005542
(2S,4R)-4-hydroxy-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842711
(2S,4R)-1-[(2-ethylphenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64693701
(2S,4S)-1-[(2-ethylphenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712406
1-[(2,5-difluorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63791730
(2S,4S)-1-[(2,5-difluorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713954
(2R,4R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106374163

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 106421054) is 4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)NCc1ccno1.
What is the InChIKey of 4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HOWFZVQCWXXOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c14-6-3-8(9(15)16)13(5-6)10(17)11-4-7-1-2-12-18-7/h1-2,6,8,14H,3-5H2,(H,11,17)(H,15,16).
What are the key properties of 4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106421054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).