5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

C14H23NO6 — CID 67304231

IUPAC5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCOC(=O)CC1CNC(C(=O)O)C(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H23NO6/c1-14(2,3)21-13(19)9-5-8(6-10(16)20-4)7-15-11(9)12(17)18/h8-9,11,15H,5-7H2,1-4H3,(H,17,18)
InChIKeyJEQLZUBEMLIAKU-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.57
Rot. Bonds4

About 5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (PubChem CID 67304231) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is 5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
PubChem CID67304231
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
SMILESCOC(=O)CC1CNC(C(=O)O)C(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H23NO6/c1-14(2,3)21-13(19)9-5-8(6-10(16)20-4)7-15-11(9)12(17)18/h8-9,11,15H,5-7H2,1-4H3,(H,17,18)
InChIKeyJEQLZUBEMLIAKU-UHFFFAOYSA-N
XLogP0.57
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22956955
cis-(1R,4S)-4-(methoxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 146437976
methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride
CID 166270818
3-O-tert-butyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137562
5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 67042420
cis-(1R,4S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 118566012
2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate
CID 73094768
1,3-bis(thietan-3-yl)propan-2-one;tert-butyl 2-(thietan-3-yl)acetate;methyl 2-(thietan-3-yl)acetate
CID 158219461
methyl 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
4-O-tert-butyl 2-O-methyl bicyclo[3.1.0]hexane-2,4-dicarboxylate
CID 53488450
methyl 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)acetate
CID 175435501
tert-butyl (2S,4R)-4-(2-methoxy-2-oxoethyl)-1-[(1S)-1-phenylethyl]piperidine-2-carboxylate
CID 135010289

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid (CID 67304231) is 5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is COC(=O)CC1CNC(C(=O)O)C(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
The InChIKey is JEQLZUBEMLIAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-14(2,3)21-13(19)9-5-8(6-10(16)20-4)7-15-11(9)12(17)18/h8-9,11,15H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid?
5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-2-oxoethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 67304231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).