3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide

C12H21N3O2 — CID 106197966

IUPAC3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCCC1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C12H21N3O2/c1-7-9(3-2-4-10(7)13)12(17)15-8-5-11(16)14-6-8/h7-10H,2-6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyRUPBIJARQROLGU-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.25
Rot. Bonds2

About 3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide

3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide (PubChem CID 106197966) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
PubChem CID106197966
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
SMILESCC1C(N)CCCC1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C12H21N3O2/c1-7-9(3-2-4-10(7)13)12(17)15-8-5-11(16)14-6-8/h7-10H,2-6,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyRUPBIJARQROLGU-UHFFFAOYSA-N
XLogP-0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106184592
2-methyl-N-(5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 130778358
3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114156975
4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 106197968
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106184637
5-amino-2,4-dimethyl-N-(6-oxopiperidin-3-yl)cyclohexane-1-carboxamide
CID 102706749
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
2-cyclohexyl-1-(5-oxopyrrolidin-3-yl)guanidine
CID 106190225
3-amino-N-(2-methoxycyclopentyl)-2-methylcyclohexane-1-carboxamide
CID 62782214
N-(5-oxopyrrolidin-3-yl)azepane-2-carboxamide
CID 106187835
1-acetyl-N-(5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 138042778
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide (CID 106197966) is 3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide is CC1C(N)CCCC1C(=O)NC1CNC(=O)C1.
What is the InChIKey of 3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is RUPBIJARQROLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-7-9(3-2-4-10(7)13)12(17)15-8-5-11(16)14-6-8/h7-10H,2-6,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide?
3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106197966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).