1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid

C12H20N2O5 — CID 107072029

IUPAC1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
SMILESCCOC(=O)NC(=O)CN1CCCC(C)C1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-3-19-12(18)13-9(15)7-14-6-4-5-8(2)10(14)11(16)17/h8,10H,3-7H2,1-2H3,(H,16,17)(H,13,15,18)
InChIKeyWVAPAZPWKXPCOO-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.44
Rot. Bonds4

About 1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid

1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107072029) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107072029
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
SMILESCCOC(=O)NC(=O)CN1CCCC(C)C1C(=O)O
InChIInChI=1S/C12H20N2O5/c1-3-19-12(18)13-9(15)7-14-6-4-5-8(2)10(14)11(16)17/h8,10H,3-7H2,1-2H3,(H,16,17)(H,13,15,18)
InChIKeyWVAPAZPWKXPCOO-UHFFFAOYSA-N
XLogP0.44
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027860
1-[2-(heptan-2-ylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072116
ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62011895
1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442143
3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072049
1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072460
3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072416
1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid
CID 107072166
1-(ethoxycarbonylsulfamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776352
1-[2-(methoxycarbonylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563347
ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
CID 103729347
3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid
CID 107072437

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid (CID 107072029) is 1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid is CCOC(=O)NC(=O)CN1CCCC(C)C1C(=O)O.
What is the InChIKey of 1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is WVAPAZPWKXPCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-3-19-12(18)13-9(15)7-14-6-4-5-8(2)10(14)11(16)17/h8,10H,3-7H2,1-2H3,(H,16,17)(H,13,15,18).
What are the key properties of 1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid?
1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107072029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).