3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide

C13H21N3O3 — CID 119786008

IUPAC3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCN2C(=O)CCC2=O)C1
InChIInChI=1S/C13H21N3O3/c14-10-3-1-2-9(8-10)13(19)15-6-7-16-11(17)4-5-12(16)18/h9-10H,1-8,14H2,(H,15,19)
InChIKeyMPJYPRZKZWYFNJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.23
Rot. Bonds4

About 3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide

3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119786008) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID119786008
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCCN2C(=O)CCC2=O)C1
InChIInChI=1S/C13H21N3O3/c14-10-3-1-2-9(8-10)13(19)15-6-7-16-11(17)4-5-12(16)18/h9-10H,1-8,14H2,(H,15,19)
InChIKeyMPJYPRZKZWYFNJ-UHFFFAOYSA-N
XLogP-0.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide (CID 119786008) is 3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCCN2C(=O)CCC2=O)C1.
What is the InChIKey of 3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is MPJYPRZKZWYFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c14-10-3-1-2-9(8-10)13(19)15-6-7-16-11(17)4-5-12(16)18/h9-10H,1-8,14H2,(H,15,19).
What are the key properties of 3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119786008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).