3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid

C13H24N2O4 — CID 67045293

IUPAC3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid
SMILESCCN(C(=O)OC(C)(C)C)C1CCCN(C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-5-15(12(18)19-13(2,3)4)10-7-6-8-14(9-10)11(16)17/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyKDFSDPUVPXKCQT-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.39
Rot. Bonds2

About 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid

3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid (PubChem CID 67045293) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid
PubChem CID67045293
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid
SMILESCCN(C(=O)OC(C)(C)C)C1CCCN(C(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-5-15(12(18)19-13(2,3)4)10-7-6-8-14(9-10)11(16)17/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyKDFSDPUVPXKCQT-UHFFFAOYSA-N
XLogP2.39
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(2-aminoacetyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566208
tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566153
4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid
CID 91152983
tert-butyl 3-[[(Z)-2-amino-3-sulfanylprop-2-enoyl]-ethylamino]piperidine-1-carboxylate
CID 168890437
methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid
CID 68880080
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
2-[(3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]acetic acid
CID 66566410
(2S,4R)-4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1,2-dicarboxylic acid
CID 170451433
tert-butyl N-(1-azabicyclo[3.1.0]hexan-2-yl)-N-ethylcarbamate
CID 91167317
tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 55591816
5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 166507581
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid (CID 67045293) is 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid is CCN(C(=O)OC(C)(C)C)C1CCCN(C(=O)O)C1.
What is the InChIKey of 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid?
The InChIKey is KDFSDPUVPXKCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-15(12(18)19-13(2,3)4)10-7-6-8-14(9-10)11(16)17/h10H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid?
3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 67045293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).