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

C11H18N2O4 — CID 83193053

IUPAC5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1CNC(=O)C1
InChIInChI=1S/C11H18N2O4/c1-7(3-2-4-10(15)16)13-11(17)8-5-9(14)12-6-8/h7-8H,2-6H2,1H3,(H,12,14)(H,13,17)(H,15,16)
InChIKeyIJTSXKPHPXKKAM-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.12
Rot. Bonds6

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

5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid (PubChem CID 83193053) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
PubChem CID83193053
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1CNC(=O)C1
InChIInChI=1S/C11H18N2O4/c1-7(3-2-4-10(15)16)13-11(17)8-5-9(14)12-6-8/h7-8H,2-6H2,1H3,(H,12,14)(H,13,17)(H,15,16)
InChIKeyIJTSXKPHPXKKAM-UHFFFAOYSA-N
XLogP-0.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-oxopiperazine-2-carbonyl)amino]hexanoic acid
CID 107437399
N-(3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981655
(2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid
CID 107831330
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
5-(piperidine-4-carbonylamino)hexanoic acid
CID 82844939
3-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 83193723
5-[[(3S)-piperidine-3-carbonyl]amino]hexanoic acid
CID 82846519
3-methyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 81455410
3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 83192584
4-[(5-oxopyrrolidine-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 83193312
(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107820415
5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid
CID 106740524

Frequently Asked Questions

What is the IUPAC name of 5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid (CID 83193053) is 5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)C1CNC(=O)C1.
What is the InChIKey of 5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
The InChIKey is IJTSXKPHPXKKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(3-2-4-10(15)16)13-11(17)8-5-9(14)12-6-8/h7-8H,2-6H2,1H3,(H,12,14)(H,13,17)(H,15,16).
What are the key properties of 5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid?
5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 83193053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).