(3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid

C11H20N2O4 — CID 71601477

IUPAC(3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CNC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-8-4-7(9(14)15)5-12-6-8/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7-,8+/m0/s1
InChIKeyUJNLXFVJIPTCCG-JGVFFNPUSA-N
MW244.29 g/mol
LogP0.57
Rot. Bonds2

About (3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid

(3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid (PubChem CID 71601477) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
PubChem CID71601477
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CNC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-8-4-7(9(14)15)5-12-6-8/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7-,8+/m0/s1
InChIKeyUJNLXFVJIPTCCG-JGVFFNPUSA-N
XLogP0.57
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-5-acetamidopiperidine-3-carboxylic acid
CID 44270778
3-Amino-1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid
CID 24729642
3-N-Boc-amino-3-(4')-piperidine-propionic acid
CID 24729684
3-(((Tert-butoxy)carbonyl)amino)piperidine-3-carboxylic acid
CID 44828667
4-Amino-1-[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid
CID 45043169
rac-1-tert-butyl 3-methyl (3R,5S)-5-aminopiperidine-1,3-dicarboxylate
CID 53677987
2-(4-((Tert-butoxycarbonyl)amino)piperidin-4-yl)acetic acid
CID 121553195
1-(2-(((Tert-butoxy)carbonyl)amino)ethyl)-2-oxopiperidine-3-carboxylic acid
CID 132312644
1-(2-{[(Tert-butoxy)carbonyl]amino}propanoyl)piperidine-3-carboxylic acid
CID 137704378
Lithium(1+) 1-((tert-butoxy)carbonyl)-5-(dimethylamino)piperidine-3-carboxylate
CID 137951960
Methyl 5-((((tert-butoxy)carbonyl)amino)methyl)piperidine-3-carboxylate
CID 137952388
1-O-tert-butyl 3-O-methyl (3R,5S)-5-(3,3,3-trifluoropropylamino)piperidine-1,3-dicarboxylate
CID 59625480

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid?
The IUPAC name of (3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid (CID 71601477) is (3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid?
The canonical SMILES for (3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid is CC(C)(C)OC(=O)N[C@H]1CNC[C@@H](C(=O)O)C1.
What is the InChIKey of (3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid?
The InChIKey is UJNLXFVJIPTCCG-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-8-4-7(9(14)15)5-12-6-8/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7-,8+/m0/s1.
What are the key properties of (3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid?
(3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid is sourced from PubChem (CID 71601477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).