1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid

C9H16N2O3 — CID 114426657

IUPAC1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(CC(N)=O)C(C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-6-2-3-11(5-8(10)12)7(4-6)9(13)14/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14)
InChIKeyFXJNHICJUYQPLX-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.34
Rot. Bonds3

About 1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid

1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426657) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114426657
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(CC(N)=O)C(C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-6-2-3-11(5-8(10)12)7(4-6)9(13)14/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14)
InChIKeyFXJNHICJUYQPLX-UHFFFAOYSA-N
XLogP-0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426285
1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426797
1-(cyanomethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426250
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid
CID 114426624
4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 114426521
1-but-3-ynyl-4-methylpiperidine-2-carboxylic acid
CID 114426543
1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426567
1-[3-(dimethylamino)-3-oxopropyl]-4-methylpiperidine-2-carboxylic acid
CID 114426324
4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid
CID 106454824
1-[(3,5-dimethylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426307

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid (CID 114426657) is 1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(CC(N)=O)C(C(=O)O)C1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is FXJNHICJUYQPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6-2-3-11(5-8(10)12)7(4-6)9(13)14/h6-7H,2-5H2,1H3,(H2,10,12)(H,13,14).
What are the key properties of 1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid?
1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).