N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide

C11H21N3O2 — CID 59525111

IUPACN-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(CCCCN)NC(=O)C1CCC(=O)N1
InChIInChI=1S/C11H21N3O2/c1-8(4-2-3-7-12)13-11(16)9-5-6-10(15)14-9/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyXGLYQCDMLHELGU-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.10
Rot. Bonds6

About N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide

N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 59525111) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID59525111
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(CCCCN)NC(=O)C1CCC(=O)N1
InChIInChI=1S/C11H21N3O2/c1-8(4-2-3-7-12)13-11(16)9-5-6-10(15)14-9/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyXGLYQCDMLHELGU-UHFFFAOYSA-N
XLogP-0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide (CID 59525111) is N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide is CC(CCCCN)NC(=O)C1CCC(=O)N1.
What is the InChIKey of N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XGLYQCDMLHELGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(4-2-3-7-12)13-11(16)9-5-6-10(15)14-9/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide?
N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 59525111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).