(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid

C12H19NO5 — CID 124662011

IUPAC(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)CN1CCC(=O)C[C@@H]1C(=O)O
InChIInChI=1S/C12H19NO5/c1-12(2,3)18-10(15)7-13-5-4-8(14)6-9(13)11(16)17/h9H,4-7H2,1-3H3,(H,16,17)/t9-/m1/s1
InChIKeyOZAWLTYEPXIRGI-SECBINFHSA-N
MW257.29 g/mol
LogP0.45
Rot. Bonds3

About (2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid

(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid (PubChem CID 124662011) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid
PubChem CID124662011
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)CN1CCC(=O)C[C@@H]1C(=O)O
InChIInChI=1S/C12H19NO5/c1-12(2,3)18-10(15)7-13-5-4-8(14)6-9(13)11(16)17/h9H,4-7H2,1-3H3,(H,16,17)/t9-/m1/s1
InChIKeyOZAWLTYEPXIRGI-SECBINFHSA-N
XLogP0.45
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidin-3-yl]propanoic acid
CID 19074889
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxoimidazolidine-4-carboxylic acid
CID 146596831
2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-3,4,5a,6-tetrahydro-1,5-benzodiazepin-1-yl]acetic acid
CID 69283101
methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 155797910
benzyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 59607548
ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate
CID 118595373
tert-butyl 2-acetyl-4-oxopiperidine-1-carboxylate
CID 77452835
tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate
CID 101369674
1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate
CID 15928262
(2,5-dioxocyclopentyl) 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 170690388
tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate
CID 174717068
lithium;hydride;(3S)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolidine-3-carboxylic acid
CID 173049616

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid (CID 124662011) is (2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid is CC(C)(C)OC(=O)CN1CCC(=O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid?
The InChIKey is OZAWLTYEPXIRGI-SECBINFHSA-N. The full InChI is InChI=1S/C12H19NO5/c1-12(2,3)18-10(15)7-13-5-4-8(14)6-9(13)11(16)17/h9H,4-7H2,1-3H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid?
(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-2-carboxylic acid is sourced from PubChem (CID 124662011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).