2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid

C9H16N2O3 — CID 43586380

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid
SMILESCN(C)C1CCN(C(=O)C(=O)O)CC1
InChIInChI=1S/C9H16N2O3/c1-10(2)7-3-5-11(6-4-7)8(12)9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyICUBPPWBVBOFSZ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.38
Rot. Bonds1

About 2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid

2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid (PubChem CID 43586380) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid
PubChem CID43586380
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid
SMILESCN(C)C1CCN(C(=O)C(=O)O)CC1
InChIInChI=1S/C9H16N2O3/c1-10(2)7-3-5-11(6-4-7)8(12)9(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyICUBPPWBVBOFSZ-UHFFFAOYSA-N
XLogP-0.38
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride
CID 155821051
1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane
CID 143677842
cyclopropyl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60763903
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethane-1,2-dione
CID 43586358
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
1-[4-(dimethylamino)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 43586350
2-chloro-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
CID 43585925
N-cyclopropyl-4-(dimethylamino)piperidine-1-carboxamide
CID 115580147
(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
CID 78967875
1-[(E)-but-2-en-2-yl]-N,N-dimethylpiperidin-4-amine
CID 144864042
tris(1-[4-(dimethylamino)piperidin-1-yl]butane-1,3-dione);iron(3+)
CID 53467781

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid (CID 43586380) is 2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid is CN(C)C1CCN(C(=O)C(=O)O)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid?
The InChIKey is ICUBPPWBVBOFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-10(2)7-3-5-11(6-4-7)8(12)9(13)14/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid?
2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid is sourced from PubChem (CID 43586380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).