methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate

C10H16N2O4 — CID 101272344

IUPACmethyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H]1CCCC(=O)N1C
InChIInChI=1S/C10H16N2O4/c1-12-7(4-3-5-8(12)13)10(15)11-6-9(14)16-2/h7H,3-6H2,1-2H3,(H,11,15)/t7-/m0/s1
InChIKeyICYPDQXCSMDMFA-ZETCQYMHSA-N
MW228.25 g/mol
LogP-0.71
Rot. Bonds3

About methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate

methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate (PubChem CID 101272344) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate
PubChem CID101272344
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@@H]1CCCC(=O)N1C
InChIInChI=1S/C10H16N2O4/c1-12-7(4-3-5-8(12)13)10(15)11-6-9(14)16-2/h7H,3-6H2,1-2H3,(H,11,15)/t7-/m0/s1
InChIKeyICYPDQXCSMDMFA-ZETCQYMHSA-N
XLogP-0.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate (CID 101272344) is methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate is COC(=O)CNC(=O)[C@@H]1CCCC(=O)N1C.
What is the InChIKey of methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate?
The InChIKey is ICYPDQXCSMDMFA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-12-7(4-3-5-8(12)13)10(15)11-6-9(14)16-2/h7H,3-6H2,1-2H3,(H,11,15)/t7-/m0/s1.
What are the key properties of methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate?
methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate has a molecular weight of 228.25 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-1-methyl-6-oxopiperidine-2-carbonyl]amino]acetate is sourced from PubChem (CID 101272344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).