N-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide

C13H24N4O2 — CID 68569637

IUPACN-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide
SMILESCN[C@@H]1CC[C@H](N2CC[C@H](N)C2=O)[C@H](NC(C)=O)C1
InChIInChI=1S/C13H24N4O2/c1-8(18)16-11-7-9(15-2)3-4-12(11)17-6-5-10(14)13(17)19/h9-12,15H,3-7,14H2,1-2H3,(H,16,18)/t9-,10+,11-,12+/m1/s1
InChIKeyPGYMPPJPUPZBCB-KXNHARMFSA-N
MW268.36 g/mol
LogP-0.81
Rot. Bonds3

About N-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide

N-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide (PubChem CID 68569637) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide
PubChem CID68569637
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide
SMILESCN[C@@H]1CC[C@H](N2CC[C@H](N)C2=O)[C@H](NC(C)=O)C1
InChIInChI=1S/C13H24N4O2/c1-8(18)16-11-7-9(15-2)3-4-12(11)17-6-5-10(14)13(17)19/h9-12,15H,3-7,14H2,1-2H3,(H,16,18)/t9-,10+,11-,12+/m1/s1
InChIKeyPGYMPPJPUPZBCB-KXNHARMFSA-N
XLogP-0.81
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide with MolForge

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Related Compounds

N-[3-(2-Methylpiperidin-1-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374716
4-[Cyclohexyl(methyl)amino]pyrrolidin-2-one;hydrochloride
CID 156018541
4-Amino-1-cyclohexylpyrrolidin-2-one
CID 43521159
1-[(1R,2R)-2-aminocyclohexyl]pyrrolidine-2,5-dione
CID 93675825
4-[Cyclohexyl(methyl)amino]pyrrolidin-2-one
CID 156015251
N-butyl-1-cyclohexyl-5-oxopyrrolidine-2-carboxamide
CID 3409834
N-cyclohexyl-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 5083158
1-Cyclohexyl-3-(methylamino)pyrrolidine-2,5-dione;hydrochloride
CID 126467797
(3S)-3-amino-1-cyclohexylpyrrolidine-2,5-dione
CID 687110
3-Amino-1-[4-(tert-butylamino)cyclohexyl]pyrrolidin-2-one
CID 21075071
1-[4-(Methylamino)cyclohexyl]pyrrolidine-2,5-dione
CID 43653797
N-((1R,2S,5R)-2-((S)-3-amino-2-oxopyrrolidin-1-yl)-5-(isopropyl(methyl)amino)cyclohexyl)acetamide
CID 44185161

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide (CID 68569637) is N-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide is CN[C@@H]1CC[C@H](N2CC[C@H](N)C2=O)[C@H](NC(C)=O)C1.
What is the InChIKey of N-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide?
The InChIKey is PGYMPPJPUPZBCB-KXNHARMFSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-8(18)16-11-7-9(15-2)3-4-12(11)17-6-5-10(14)13(17)19/h9-12,15H,3-7,14H2,1-2H3,(H,16,18)/t9-,10+,11-,12+/m1/s1.
What are the key properties of N-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide?
N-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide has a molecular weight of 268.36 g/mol, XLogP of -0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,5R)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-5-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 68569637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).