1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid

C11H18N2O5 — CID 114426797

IUPAC1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
SMILESCOC(=O)NC(=O)CN1CCC(C)CC1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-7-3-4-13(8(5-7)10(15)16)6-9(14)12-11(17)18-2/h7-8H,3-6H2,1-2H3,(H,15,16)(H,12,14,17)
InChIKeyMYYDJIYQNBHHQZ-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.05
Rot. Bonds3

About 1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid

1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426797) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114426797
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
SMILESCOC(=O)NC(=O)CN1CCC(C)CC1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-7-3-4-13(8(5-7)10(15)16)6-9(14)12-11(17)18-2/h7-8H,3-6H2,1-2H3,(H,15,16)(H,12,14,17)
InChIKeyMYYDJIYQNBHHQZ-UHFFFAOYSA-N
XLogP0.05
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442143
1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426567
1-[2-(methoxycarbonylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563347
1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369030
1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426657
4-methyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 114426521
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426285
1-(cyanomethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426250
ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62011895
1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid
CID 114426624
4-methyl-1-(2-propoxyethyl)piperidine-2-carboxylic acid
CID 106454824

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid (CID 114426797) is 1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid is COC(=O)NC(=O)CN1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is MYYDJIYQNBHHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7-3-4-13(8(5-7)10(15)16)6-9(14)12-11(17)18-2/h7-8H,3-6H2,1-2H3,(H,15,16)(H,12,14,17).
What are the key properties of 1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid?
1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).