(2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid

C12H22N2O3 — CID 20638341

IUPAC(2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCC(CC)NC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-9(4-2)13-12(17)14-8-6-5-7-10(14)11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)/t10-/m0/s1
InChIKeyUQCXZQAGKHRPLS-JTQLQIEISA-N
MW242.32 g/mol
LogP1.82
Rot. Bonds4

About (2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid

(2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 20638341) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID20638341
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCC(CC)NC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-3-9(4-2)13-12(17)14-8-6-5-7-10(14)11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)/t10-/m0/s1
InChIKeyUQCXZQAGKHRPLS-JTQLQIEISA-N
XLogP1.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid (CID 20638341) is (2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid is CCC(CC)NC(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is UQCXZQAGKHRPLS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-9(4-2)13-12(17)14-8-6-5-7-10(14)11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid?
(2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(pentan-3-ylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 20638341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).