(2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid

C13H20N2O5 — CID 102944442

IUPAC(2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
SMILESCN(C)C(=O)C1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C13H20N2O5/c1-14(2)11(16)8-4-3-7-15(8)12(17)9-5-6-10(20-9)13(18)19/h8-10H,3-7H2,1-2H3,(H,18,19)/t8?,9-,10+/m0/s1
InChIKeyALSNKXAILMPAEZ-CBMCFHRWSA-N
MW284.31 g/mol
LogP-0.30
Rot. Bonds3

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

(2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid (PubChem CID 102944442) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
PubChem CID102944442
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name(2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
SMILESCN(C)C(=O)C1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C13H20N2O5/c1-14(2)11(16)8-4-3-7-15(8)12(17)9-5-6-10(20-9)13(18)19/h8-10H,3-7H2,1-2H3,(H,18,19)/t8?,9-,10+/m0/s1
InChIKeyALSNKXAILMPAEZ-CBMCFHRWSA-N
XLogP-0.30
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717815
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid
CID 102688135
(2S)-1-[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 101411336
(2S)-1-(5-ethyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365140
4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991376
N,N-dimethyl-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 43579479
1-(4-aminooxolane-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 66240806
1-(2,2-dimethylpropanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60858063
ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CID 60700666
(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 102945606
1-[(2R)-2-aminopropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 119275596

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid (CID 102944442) is (2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid is CN(C)C(=O)C1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid?
The InChIKey is ALSNKXAILMPAEZ-CBMCFHRWSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-14(2)11(16)8-4-3-7-15(8)12(17)9-5-6-10(20-9)13(18)19/h8-10H,3-7H2,1-2H3,(H,18,19)/t8?,9-,10+/m0/s1.
What are the key properties of (2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).