2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide

C17H29N3O2 — CID 138044350

IUPAC2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide
SMILESCC1CC1N1CC(NC(=O)C2CCCCCCC2N)CC1=O
InChIInChI=1S/C17H29N3O2/c1-11-8-15(11)20-10-12(9-16(20)21)19-17(22)13-6-4-2-3-5-7-14(13)18/h11-15H,2-10,18H2,1H3,(H,19,22)
InChIKeyPLAICZDVJDAMFN-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.41
Rot. Bonds3

About 2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide

2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide (PubChem CID 138044350) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide
PubChem CID138044350
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide
SMILESCC1CC1N1CC(NC(=O)C2CCCCCCC2N)CC1=O
InChIInChI=1S/C17H29N3O2/c1-11-8-15(11)20-10-12(9-16(20)21)19-17(22)13-6-4-2-3-5-7-14(13)18/h11-15H,2-10,18H2,1H3,(H,19,22)
InChIKeyPLAICZDVJDAMFN-UHFFFAOYSA-N
XLogP1.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]piperidine-2-carboxamide
CID 125152480
(2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 125152785
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)cyclohexane-1-carboxamide
CID 64668462
(3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide
CID 129424104
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120796128
2-amino-N-cyclooctylcyclohexane-1-carboxamide
CID 62775417
2-amino-N-cyclohexylcyclopentane-1-carboxamide
CID 64817156
2-amino-N-cyclopentylcyclohexane-1-carboxamide
CID 62777872
2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide
CID 107842831
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110016100
3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030768
(2E,4E)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]hexa-2,4-dienamide
CID 129449704

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide?
The IUPAC name of 2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide (CID 138044350) is 2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide?
The canonical SMILES for 2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide is CC1CC1N1CC(NC(=O)C2CCCCCCC2N)CC1=O.
What is the InChIKey of 2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide?
The InChIKey is PLAICZDVJDAMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-11-8-15(11)20-10-12(9-16(20)21)19-17(22)13-6-4-2-3-5-7-14(13)18/h11-15H,2-10,18H2,1H3,(H,19,22).
What are the key properties of 2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide?
2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide is sourced from PubChem (CID 138044350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).