4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid

C13H22N2O5 — CID 91152983

IUPAC4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)15(8-9-16)10-4-6-14(7-5-10)11(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyTUYWRZRDTMRVNE-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.56
Rot. Bonds3

About 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid

4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid (PubChem CID 91152983) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid
PubChem CID91152983
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)15(8-9-16)10-4-6-14(7-5-10)11(17)18/h9-10H,4-8H2,1-3H3,(H,17,18)
InChIKeyTUYWRZRDTMRVNE-UHFFFAOYSA-N
XLogP1.56
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 124907567
3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid
CID 67045293
tert-butyl N-[[(3S)-1-(2-aminoacetyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 96553670
tert-butyl N-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(2-oxoethyl)carbamate
CID 166486409
tert-butyl N-amino-N-[2-[cyclopentyl(2-oxoethyl)amino]-2-oxoacetyl]carbamate
CID 173049218
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566153
4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid
CID 146599300
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate
CID 71276149
2-[2-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566450

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid (CID 91152983) is 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid is CC(C)(C)OC(=O)N(CC=O)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid?
The InChIKey is TUYWRZRDTMRVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)15(8-9-16)10-4-6-14(7-5-10)11(17)18/h9-10H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid?
4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 91152983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).