(2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid

C9H11N3O5 — CID 106394645

IUPAC(2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NCc1ncon1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C9H11N3O5/c13-8(10-3-7-11-4-16-12-7)5-1-2-6(17-5)9(14)15/h4-6H,1-3H2,(H,10,13)(H,14,15)/t5-,6+/m0/s1
InChIKeyBYLMSTFNMWKDBM-NTSWFWBYSA-N
MW241.20 g/mol
LogP-0.68
Rot. Bonds4

About (2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid

(2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 106394645) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is (2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID106394645
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name(2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid
SMILESO=C(NCc1ncon1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C9H11N3O5/c13-8(10-3-7-11-4-16-12-7)5-1-2-6(17-5)9(14)15/h4-6H,1-3H2,(H,10,13)(H,14,15)/t5-,6+/m0/s1
InChIKeyBYLMSTFNMWKDBM-NTSWFWBYSA-N
XLogP-0.68
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688468
(3S)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidine-3-carboxamide
CID 106396842
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106403250
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078
5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688301
2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethylcarbamoyl)amino]acetic acid
CID 114184369
5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102687496
N-(1,2,4-oxadiazol-3-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 106406327
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 106406108
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
N-(1,2,4-oxadiazol-3-ylmethyl)morpholine-3-carboxamide
CID 106397009
N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
CID 106398468

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid (CID 106394645) is (2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid is O=C(NCc1ncon1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is BYLMSTFNMWKDBM-NTSWFWBYSA-N. The full InChI is InChI=1S/C9H11N3O5/c13-8(10-3-7-11-4-16-12-7)5-1-2-6(17-5)9(14)15/h4-6H,1-3H2,(H,10,13)(H,14,15)/t5-,6+/m0/s1.
What are the key properties of (2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 241.20 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 106394645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).