6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid

C14H22N2O4 — CID 43352993

IUPAC6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H22N2O4/c17-12-8-10(9-16(12)11-5-6-11)14(20)15-7-3-1-2-4-13(18)19/h10-11H,1-9H2,(H,15,20)(H,18,19)
InChIKeyYQIQKTAYBDHBCH-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.76
Rot. Bonds8

About 6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid

6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid (PubChem CID 43352993) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
PubChem CID43352993
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C14H22N2O4/c17-12-8-10(9-16(12)11-5-6-11)14(20)15-7-3-1-2-4-13(18)19/h10-11H,1-9H2,(H,15,20)(H,18,19)
InChIKeyYQIQKTAYBDHBCH-UHFFFAOYSA-N
XLogP0.76
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.76
H-Bond Donors ≤ 52
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 6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid (CID 43352993) is 6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid is O=C(O)CCCCCNC(=O)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of 6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The InChIKey is YQIQKTAYBDHBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12-8-10(9-16(12)11-5-6-11)14(20)15-7-3-1-2-4-13(18)19/h10-11H,1-9H2,(H,15,20)(H,18,19).
What are the key properties of 6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid has a molecular weight of 282.34 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43352993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).