(3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C16H26N2O2 — CID 95353422

IUPAC(3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](C1CC1)N(C)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C16H26N2O2/c1-11(12-7-8-12)17(2)16(20)13-9-15(19)18(10-13)14-5-3-4-6-14/h11-14H,3-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyYIVKWOQZTFMELU-YPMHNXCESA-N
MW278.40 g/mol
LogP2.03
Rot. Bonds4

About (3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95353422) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95353422
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESC[C@H](C1CC1)N(C)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C16H26N2O2/c1-11(12-7-8-12)17(2)16(20)13-9-15(19)18(10-13)14-5-3-4-6-14/h11-14H,3-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyYIVKWOQZTFMELU-YPMHNXCESA-N
XLogP2.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95591973
N-[(1S)-1-cyclopropylethyl]-N-methylcyclopentanecarboxamide
CID 52522891
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119209014
(3R)-N-[(1R)-1-cyclopropylethyl]-1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95353111
N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 78858369
1-cyclopentyl-N-(dicyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71943339
N-[(1R)-1-cyclopropylethyl]-N-methylcyclopropanecarboxamide
CID 52519617
N-(2-cyanoethyl)-1-cyclopentyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51074163
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190271
(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 6942092
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 125151592

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 95353422) is (3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is C[C@H](C1CC1)N(C)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YIVKWOQZTFMELU-YPMHNXCESA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(12-7-8-12)17(2)16(20)13-9-15(19)18(10-13)14-5-3-4-6-14/h11-14H,3-10H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of (3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95353422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).