5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid

C13H23N3O4 — CID 106192144

IUPAC5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
SMILESCC(C)(C)CC(CC(=O)O)NC(=O)NC1CNC(=O)C1
InChIInChI=1S/C13H23N3O4/c1-13(2,3)6-8(5-11(18)19)15-12(20)16-9-4-10(17)14-7-9/h8-9H,4-7H2,1-3H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyKZGLHWRQVOQDAJ-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.45
Rot. Bonds5

About 5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid

5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid (PubChem CID 106192144) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
PubChem CID106192144
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
SMILESCC(C)(C)CC(CC(=O)O)NC(=O)NC1CNC(=O)C1
InChIInChI=1S/C13H23N3O4/c1-13(2,3)6-8(5-11(18)19)15-12(20)16-9-4-10(17)14-7-9/h8-9H,4-7H2,1-3H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyKZGLHWRQVOQDAJ-UHFFFAOYSA-N
XLogP0.45
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156262
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 106191844
(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192063
(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 106192089
5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid
CID 113496888
3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid
CID 114549080
(2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 112734945
4-methylsulfanyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 114156284
2-[tert-butyl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 106191614
(2S)-2-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187633
5-methoxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156282
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid?
The IUPAC name of 5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid (CID 106192144) is 5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid?
The canonical SMILES for 5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid is CC(C)(C)CC(CC(=O)O)NC(=O)NC1CNC(=O)C1.
What is the InChIKey of 5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid?
The InChIKey is KZGLHWRQVOQDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(2,3)6-8(5-11(18)19)15-12(20)16-9-4-10(17)14-7-9/h8-9H,4-7H2,1-3H3,(H,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid?
5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.45, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 106192144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).