(3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide

C17H25N3O4 — CID 94116635

IUPAC(3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESC[C@@H](CN1CCOCC1)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H25N3O4/c1-13(10-19-4-7-23-8-5-19)18-17(22)14-9-16(21)20(11-14)12-15-3-2-6-24-15/h2-3,6,13-14H,4-5,7-12H2,1H3,(H,18,22)/t13-,14-/m0/s1
InChIKeyZZUJTQAGTUFTRY-KBPBESRZSA-N
MW335.40 g/mol
LogP0.47
Rot. Bonds6

About (3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 94116635) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is (3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID94116635
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name(3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESC[C@@H](CN1CCOCC1)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C17H25N3O4/c1-13(10-19-4-7-23-8-5-19)18-17(22)14-9-16(21)20(11-14)12-15-3-2-6-24-15/h2-3,6,13-14H,4-5,7-12H2,1H3,(H,18,22)/t13-,14-/m0/s1
InChIKeyZZUJTQAGTUFTRY-KBPBESRZSA-N
XLogP0.47
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42904565
(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 124701749
N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]propanamide
CID 17232783
1-(furan-2-ylmethyl)-5-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 51203979
methyl (2R,3S)-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoate
CID 100900759
(3R)-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97235350
N-(1-cyclohexyl-3-hydroxypropyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 75429899
1-(furan-2-ylmethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 42881863
(3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 124825448
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 94116635) is (3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide is C[C@@H](CN1CCOCC1)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of (3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZZUJTQAGTUFTRY-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-13(10-19-4-7-23-8-5-19)18-17(22)14-9-16(21)20(11-14)12-15-3-2-6-24-15/h2-3,6,13-14H,4-5,7-12H2,1H3,(H,18,22)/t13-,14-/m0/s1.
What are the key properties of (3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94116635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).