(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide

C12H18N2O4 — CID 99718766

IUPAC(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
SMILESCONC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-17-13-12(16)14-6-2-4-9(14)8-10(15)11-5-3-7-18-11/h3,5,7,9-10,15H,2,4,6,8H2,1H3,(H,13,16)/t9-,10-/m0/s1
InChIKeyCMYMNEKCKAADCH-UWVGGRQHSA-N
MW254.29 g/mol
LogP1.44
Rot. Bonds4

About (2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide

(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide (PubChem CID 99718766) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
PubChem CID99718766
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
SMILESCONC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-17-13-12(16)14-6-2-4-9(14)8-10(15)11-5-3-7-18-11/h3,5,7,9-10,15H,2,4,6,8H2,1H3,(H,13,16)/t9-,10-/m0/s1
InChIKeyCMYMNEKCKAADCH-UWVGGRQHSA-N
XLogP1.44
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718768
(2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97224407
tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
CID 97071886
2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 71920200
(2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97320650
(2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 124591598
2-(4-fluorophenoxy)-1-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]ethanone
CID 97224650
2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 71920253
(5R)-5-[(2S)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240250
(5R)-5-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240251
(5R)-5-[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]azepane-1-carbonyl]pyrrolidin-2-one
CID 97240252
(2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 96996602

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide (CID 99718766) is (2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide is CONC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1.
What is the InChIKey of (2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide?
The InChIKey is CMYMNEKCKAADCH-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-13-12(16)14-6-2-4-9(14)8-10(15)11-5-3-7-18-11/h3,5,7,9-10,15H,2,4,6,8H2,1H3,(H,13,16)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide?
(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 99718766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).