(3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid

C11H21N3O3 — CID 69069850

IUPAC(3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid
SMILESCC(C)(C)NC(=O)N[C@H]1CNC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)14-10(17)13-8-4-7(9(15)16)5-12-6-8/h7-8,12H,4-6H2,1-3H3,(H,15,16)(H2,13,14,17)/t7-,8+/m0/s1
InChIKeyKAACODTUVZFSEW-JGVFFNPUSA-N
MW243.31 g/mol
LogP0.15
Rot. Bonds2

About (3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid

(3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid (PubChem CID 69069850) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid
PubChem CID69069850
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid
SMILESCC(C)(C)NC(=O)N[C@H]1CNC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)14-10(17)13-8-4-7(9(15)16)5-12-6-8/h7-8,12H,4-6H2,1-3H3,(H,15,16)(H2,13,14,17)/t7-,8+/m0/s1
InChIKeyKAACODTUVZFSEW-JGVFFNPUSA-N
XLogP0.15
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid?
The IUPAC name of (3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid (CID 69069850) is (3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid?
The canonical SMILES for (3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid is CC(C)(C)NC(=O)N[C@H]1CNC[C@@H](C(=O)O)C1.
What is the InChIKey of (3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid?
The InChIKey is KAACODTUVZFSEW-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)14-10(17)13-8-4-7(9(15)16)5-12-6-8/h7-8,12H,4-6H2,1-3H3,(H,15,16)(H2,13,14,17)/t7-,8+/m0/s1.
What are the key properties of (3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid?
(3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 0.15, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(tert-butylcarbamoylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 69069850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).