(3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C19H26N2O3 — CID 124825448

IUPAC(3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H26N2O3/c1-12(17-8-13-4-5-14(17)7-13)20-19(23)15-9-18(22)21(10-15)11-16-3-2-6-24-16/h2-3,6,12-15,17H,4-5,7-11H2,1H3,(H,20,23)/t12-,13-,14-,15-,17+/m0/s1
InChIKeyRCBSENYNYHCICC-WNZSCWOMSA-N
MW330.43 g/mol
LogP2.57
Rot. Bonds5

About (3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 124825448) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID124825448
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H26N2O3/c1-12(17-8-13-4-5-14(17)7-13)20-19(23)15-9-18(22)21(10-15)11-16-3-2-6-24-16/h2-3,6,12-15,17H,4-5,7-11H2,1H3,(H,20,23)/t12-,13-,14-,15-,17+/m0/s1
InChIKeyRCBSENYNYHCICC-WNZSCWOMSA-N
XLogP2.57
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 99730752
N-[1-(1-adamantyl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42904565
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
1-(furan-2-ylmethyl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55887280
(3S)-1-(furan-2-ylmethyl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 94116635
(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 124701749
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43008995
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
N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
(3R)-N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97235350

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 124825448) is (3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RCBSENYNYHCICC-WNZSCWOMSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12(17-8-13-4-5-14(17)7-13)20-19(23)15-9-18(22)21(10-15)11-16-3-2-6-24-16/h2-3,6,12-15,17H,4-5,7-11H2,1H3,(H,20,23)/t12-,13-,14-,15-,17+/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124825448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).