(2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide

C13H21N3O2 — CID 125152785

IUPAC(2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H]1C[C@H]1N1C[C@H](NC(=O)[C@@H]2CCCN2)CC1=O
InChIInChI=1S/C13H21N3O2/c1-8-5-11(8)16-7-9(6-12(16)17)15-13(18)10-3-2-4-14-10/h8-11,14H,2-7H2,1H3,(H,15,18)/t8-,9-,10+,11-/m1/s1
InChIKeyQLBXNSJICDMLOD-CHWFTXMASA-N
MW251.33 g/mol
LogP-0.14
Rot. Bonds3

About (2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide

(2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 125152785) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID125152785
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESC[C@@H]1C[C@H]1N1C[C@H](NC(=O)[C@@H]2CCCN2)CC1=O
InChIInChI=1S/C13H21N3O2/c1-8-5-11(8)16-7-9(6-12(16)17)15-13(18)10-3-2-4-14-10/h8-11,14H,2-7H2,1H3,(H,15,18)/t8-,9-,10+,11-/m1/s1
InChIKeyQLBXNSJICDMLOD-CHWFTXMASA-N
XLogP-0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2R)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]piperidine-2-carboxamide
CID 125152480
N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119342635
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119343394
2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide
CID 138044350
(2R)-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 103796815
(3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide
CID 129424104
(2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 10083650
N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119321878
(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 64733303
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120796128
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
N-(1-ethylazetidin-3-yl)pyrrolidine-2-carboxamide
CID 130638003

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 125152785) is (2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is C[C@@H]1C[C@H]1N1C[C@H](NC(=O)[C@@H]2CCCN2)CC1=O.
What is the InChIKey of (2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is QLBXNSJICDMLOD-CHWFTXMASA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8-5-11(8)16-7-9(6-12(16)17)15-13(18)10-3-2-4-14-10/h8-11,14H,2-7H2,1H3,(H,15,18)/t8-,9-,10+,11-/m1/s1.
What are the key properties of (2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 125152785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).