2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid

C12H22N2O3 — CID 103252992

IUPAC2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid
SMILESCCCCC(NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-4-5-10(12(16)17)13-9-6-7-11(15)14(2)8-9/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyZAKSUBBILGIXAW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds6

About 2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid

2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid (PubChem CID 103252992) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid
PubChem CID103252992
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid
SMILESCCCCC(NC1CCC(=O)N(C)C1)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-4-5-10(12(16)17)13-9-6-7-11(15)14(2)8-9/h9-10,13H,3-8H2,1-2H3,(H,16,17)
InChIKeyZAKSUBBILGIXAW-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methyl-6-oxopiperidin-3-yl)amino]pentanoic acid
CID 83042057
2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
CID 64667991
3-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]butanoic acid
CID 103253002
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]hexanoic acid
CID 106257611
1-methyl-5-(pentan-2-ylamino)piperidin-2-one
CID 64654876
2-(cyclopropylamino)heptanoic acid
CID 43754511
5-(butylamino)-1-methylpiperidin-2-one
CID 64655124
2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 104686741
1-methyl-5-(propan-2-ylamino)piperidin-2-one
CID 64655115
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide
CID 104685189
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 107144065
4-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 64670249

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid?
The IUPAC name of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid (CID 103252992) is 2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid is CCCCC(NC1CCC(=O)N(C)C1)C(=O)O.
What is the InChIKey of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid?
The InChIKey is ZAKSUBBILGIXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-4-5-10(12(16)17)13-9-6-7-11(15)14(2)8-9/h9-10,13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid?
2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid is sourced from PubChem (CID 103252992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).