(2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid

C10H15NO5 — CID 107214293

IUPAC(2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)N2CC[C@H](O)C2)O1
InChIInChI=1S/C10H15NO5/c12-6-3-4-11(5-6)9(13)7-1-2-8(16-7)10(14)15/h6-8,12H,1-5H2,(H,14,15)/t6-,7-,8+/m0/s1
InChIKeyBIKMDQWWDNWCDG-BIIVOSGPSA-N
MW229.23 g/mol
LogP-0.79
Rot. Bonds2

About (2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid (PubChem CID 107214293) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
PubChem CID107214293
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)N2CC[C@H](O)C2)O1
InChIInChI=1S/C10H15NO5/c12-6-3-4-11(5-6)9(13)7-1-2-8(16-7)10(14)15/h6-8,12H,1-5H2,(H,14,15)/t6-,7-,8+/m0/s1
InChIKeyBIKMDQWWDNWCDG-BIIVOSGPSA-N
XLogP-0.79
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688295
5-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688502
(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945045
5-(3-methoxycarbonylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688728
5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687444
5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688432
5-(3-acetamidopyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688903
5-(morpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102687423
(2R,5S)-5-[3-(methoxycarbonylamino)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 102945634
5-(2-methyl-1,4-oxazepane-4-carbonyl)oxolane-2-carboxylic acid
CID 102688484
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
(2R,5S)-5-(4-acetyl-1,4-diazepane-1-carbonyl)oxolane-2-carboxylic acid
CID 102945101

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid (CID 107214293) is (2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C(=O)N2CC[C@H](O)C2)O1.
What is the InChIKey of (2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid?
The InChIKey is BIKMDQWWDNWCDG-BIIVOSGPSA-N. The full InChI is InChI=1S/C10H15NO5/c12-6-3-4-11(5-6)9(13)7-1-2-8(16-7)10(14)15/h6-8,12H,1-5H2,(H,14,15)/t6-,7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 107214293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).