(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide

C15H22N2O3 — CID 95739502

IUPAC(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CC[C@H]2C(=O)NCC(C)C)o1
InChIInChI=1S/C15H22N2O3/c1-10(2)8-16-15(19)13-6-7-14(18)17(13)9-12-5-4-11(3)20-12/h4-5,10,13H,6-9H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyOKDVJHJCSPXIPY-ZDUSSCGKSA-N
MW278.35 g/mol
LogP1.85
Rot. Bonds5

About (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide

(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 95739502) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID95739502
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CC[C@H]2C(=O)NCC(C)C)o1
InChIInChI=1S/C15H22N2O3/c1-10(2)8-16-15(19)13-6-7-14(18)17(13)9-12-5-4-11(3)20-12/h4-5,10,13H,6-9H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyOKDVJHJCSPXIPY-ZDUSSCGKSA-N
XLogP1.85
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 95739154
(2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739460
(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 95739472
1-[(5-methylfuran-2-yl)methyl]-5-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 71688598
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739433
(2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739435
(5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 95739163
(5R)-5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one
CID 95739483
(5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one
CID 100802952
(2R)-N-(cyclopentylmethyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738938
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606
(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 7101882

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide (CID 95739502) is (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide is Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCC(C)C)o1.
What is the InChIKey of (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is OKDVJHJCSPXIPY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)8-16-15(19)13-6-7-14(18)17(13)9-12-5-4-11(3)20-12/h4-5,10,13H,6-9H2,1-3H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95739502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).