(2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide

C13H20N2O4 — CID 154865192

IUPAC(2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide
SMILESO=C(NOC1CCOC1)[C@@H]1CCCN1C(=O)C1CC1
InChIInChI=1S/C13H20N2O4/c16-12(14-19-10-5-7-18-8-10)11-2-1-6-15(11)13(17)9-3-4-9/h9-11H,1-8H2,(H,14,16)/t10?,11-/m0/s1
InChIKeyGWSPSEFFOWQFEQ-DTIOYNMSSA-N
MW268.31 g/mol
LogP0.22
Rot. Bonds4

About (2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide

(2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide (PubChem CID 154865192) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide
PubChem CID154865192
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide
SMILESO=C(NOC1CCOC1)[C@@H]1CCCN1C(=O)C1CC1
InChIInChI=1S/C13H20N2O4/c16-12(14-19-10-5-7-18-8-10)11-2-1-6-15(11)13(17)9-3-4-9/h9-11H,1-8H2,(H,14,16)/t10?,11-/m0/s1
InChIKeyGWSPSEFFOWQFEQ-DTIOYNMSSA-N
XLogP0.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide
CID 95139145
N-(oxolan-3-yloxy)-1-phenylpyrrolidine-2-carboxamide
CID 154863408
1-(oxane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209805
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110285757
trans-(1R,2R)-2-methyl-N-(oxolan-3-yloxy)cyclopropane-1-carboxamide
CID 130673406
(2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 94630274
1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
CID 91127022
3-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 64889977
1-(cyclopropanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170919
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
(2R)-1-(cyclopentanecarbonyl)-N-cyclopentylsulfonylpyrrolidine-2-carboxamide
CID 124511709

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide (CID 154865192) is (2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide is O=C(NOC1CCOC1)[C@@H]1CCCN1C(=O)C1CC1.
What is the InChIKey of (2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide?
The InChIKey is GWSPSEFFOWQFEQ-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-12(14-19-10-5-7-18-8-10)11-2-1-6-15(11)13(17)9-3-4-9/h9-11H,1-8H2,(H,14,16)/t10?,11-/m0/s1.
What are the key properties of (2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide?
(2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154865192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).