(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid

C13H22N2O5 — CID 139554798

IUPAC(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)14-7-10(16)15-6-4-5-9(8-15)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)/t9-/m1/s1
InChIKeyHCPNATHVFPEKSJ-SECBINFHSA-N
MW286.33 g/mol
LogP0.83
Rot. Bonds3

About (3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid

(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid (PubChem CID 139554798) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid
PubChem CID139554798
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)14-7-10(16)15-6-4-5-9(8-15)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)/t9-/m1/s1
InChIKeyHCPNATHVFPEKSJ-SECBINFHSA-N
XLogP0.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane
CID 142306619
tert-butyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate;propane
CID 162388275
1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 102553202
(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 99638975
1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
CID 79257373
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid
CID 119167835
tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 94813303
(2S)-1-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 13091071
tert-butyl N-[2-oxo-2-[3-(trifluoromethoxy)pyrrolidin-1-yl]ethyl]carbamate
CID 178127237
(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 81125297
(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid
CID 81121210

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid (CID 139554798) is (3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid?
The InChIKey is HCPNATHVFPEKSJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)14-7-10(16)15-6-4-5-9(8-15)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)/t9-/m1/s1.
What are the key properties of (3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid?
(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 139554798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).