(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid

C17H30N2O6 — CID 157399543

IUPAC(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](C(=O)O)C1.O=C(O)[C@@H]1CCCNC1
InChIInChI=1S/C11H19NO4.C6H11NO2/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14;8-6(9)5-2-1-3-7-4-5/h8H,4-7H2,1-3H3,(H,13,14);5,7H,1-4H2,(H,8,9)/t8-;5-/m11/s1
InChIKeyBMZCPCYXCAOSMM-AKUDJJMXSA-N
MW358.44 g/mol
LogP1.79
Rot. Bonds2

About (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid

(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid (PubChem CID 157399543) has the molecular formula C17H30N2O6 and a molecular weight of 358.44 g/mol. Its IUPAC name is (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid
PubChem CID157399543
Molecular FormulaC17H30N2O6
Molecular Weight358.44 g/mol
Exact Mass358.21
IUPAC Name(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](C(=O)O)C1.O=C(O)[C@@H]1CCCNC1
InChIInChI=1S/C11H19NO4.C6H11NO2/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14;8-6(9)5-2-1-3-7-4-5/h8H,4-7H2,1-3H3,(H,13,14);5,7H,1-4H2,(H,8,9)/t8-;5-/m11/s1
InChIKeyBMZCPCYXCAOSMM-AKUDJJMXSA-N
XLogP1.79
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CID 2735647
1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate
CID 643516
(3S)-1-((tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CID 6951168
3-((Tert-butoxy)carbonyl)-3-azabicyclo(3.1.1)heptane-1-carboxylic acid
CID 25324128
4-Amino-1-[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid
CID 45043169
1,3-Piperidinedicarboxylic acid, 5-methyl-, 1-(1,1-dimethylethyl) ester
CID 66786454
rac-(3R,5S)-1-((tert-butoxy)carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 124562270
9-[(Tert-butoxy)carbonyl]-4-oxo-3,9-diazaspiro[5.5]undecane-1-carboxylic acid
CID 71305479
1-(2-(((Tert-butoxy)carbonyl)amino)ethyl)-2-oxopiperidine-3-carboxylic acid
CID 132312644
Methyl 5-((((tert-butoxy)carbonyl)amino)methyl)piperidine-3-carboxylate
CID 137952388
Tert-butyl 3-butanoylpiperidine-1-carboxylate;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;2,2,2-trifluoroethanamine
CID 161331076
4-Amino-3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 105514491

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid (CID 157399543) is (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)O)C1.O=C(O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid?
The InChIKey is BMZCPCYXCAOSMM-AKUDJJMXSA-N. The full InChI is InChI=1S/C11H19NO4.C6H11NO2/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14;8-6(9)5-2-1-3-7-4-5/h8H,4-7H2,1-3H3,(H,13,14);5,7H,1-4H2,(H,8,9)/t8-;5-/m11/s1.
What are the key properties of (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid?
(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid is sourced from PubChem (CID 157399543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).