2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid

C11H20N2O3 — CID 106257611

IUPAC2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid
SMILESCCCCC(NC1CCN(C)C1=O)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-4-5-9(11(15)16)12-8-6-7-13(2)10(8)14/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyOSNFWNSTLWPZTH-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds6

About 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid

2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid (PubChem CID 106257611) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid
PubChem CID106257611
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid
SMILESCCCCC(NC1CCN(C)C1=O)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-4-5-9(11(15)16)12-8-6-7-13(2)10(8)14/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyOSNFWNSTLWPZTH-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid
CID 103252992
3-[1-(4-fluorophenyl)pentylamino]-1-methylpyrrolidin-2-one
CID 106252639
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 107144065
2-(cyclopropylamino)heptanoic acid
CID 43754511
(2S)-2-[[(3S,8aR)-1-(carboxymethyl)-2-oxo-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-3-yl]amino]pentanoic acid
CID 18634390
(2S)-2-[(2-oxocyclopentyl)amino]pentanoic acid
CID 175738929
2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid
CID 106362432
(2S)-6-amino-2-[[(3S)-1-[(1S)-1-carboxyethyl]-2-oxoazepan-3-yl]amino]hexanoic acid
CID 18605785
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596
2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid
CID 83042057
(2S)-2-[[3-(4-fluorophenyl)cyclopentyl]amino]hexanoic acid
CID 122044721
(2S)-3-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114165149

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid?
The IUPAC name of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid (CID 106257611) is 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid is CCCCC(NC1CCN(C)C1=O)C(=O)O.
What is the InChIKey of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid?
The InChIKey is OSNFWNSTLWPZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-4-5-9(11(15)16)12-8-6-7-13(2)10(8)14/h8-9,12H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid?
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid is sourced from PubChem (CID 106257611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).