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

C19H30N2O2 — CID 124729471

IUPAC(3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H30N2O2/c1-12(17-9-13-6-7-14(17)8-13)20-19(23)15-10-18(22)21(11-15)16-4-2-3-5-16/h12-17H,2-11H2,1H3,(H,20,23)/t12-,13-,14-,15+,17-/m0/s1
InChIKeyGDFUTQPJHCNINE-JGFGOLAASA-N
MW318.46 g/mol
LogP2.72
Rot. Bonds4

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

(3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 124729471) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID124729471
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H30N2O2/c1-12(17-9-13-6-7-14(17)8-13)20-19(23)15-10-18(22)21(11-15)16-4-2-3-5-16/h12-17H,2-11H2,1H3,(H,20,23)/t12-,13-,14-,15+,17-/m0/s1
InChIKeyGDFUTQPJHCNINE-JGFGOLAASA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(3R)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 124824222
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 43008995
1-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclohexane-1,4-dicarboxamide
CID 98390836
(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124824135
methyl 2-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate
CID 60698316
(1S,5R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 124740567
1-cyclopentyl-N-(dicyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71943339
(3S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 124825448
N-(1-amino-4-methylpentan-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119585859
1-cyclopentyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 103799013
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 110687444

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 124729471) is (3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GDFUTQPJHCNINE-JGFGOLAASA-N. The full InChI is InChI=1S/C19H30N2O2/c1-12(17-9-13-6-7-14(17)8-13)20-19(23)15-10-18(22)21(11-15)16-4-2-3-5-16/h12-17H,2-11H2,1H3,(H,20,23)/t12-,13-,14-,15+,17-/m0/s1.
What are the key properties of (3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124729471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).