(3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid

C15H28N2O3 — CID 81120315

IUPAC(3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(C)(C)CC(C)(C)NC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-14(2,3)10-15(4,5)16-13(20)17-8-6-7-11(9-17)12(18)19/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKeyGSWPDTKZGWWENU-LLVKDONJSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds3

About (3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid

(3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 81120315) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID81120315
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(C)(C)CC(C)(C)NC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-14(2,3)10-15(4,5)16-13(20)17-8-6-7-11(9-17)12(18)19/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKeyGSWPDTKZGWWENU-LLVKDONJSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 122016418
(3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 81126024
(3S)-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 104864513
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 115535241
(3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid
CID 83020621
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
CID 79257373
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3R)-1-(piperidin-1-ylcarbamoyl)piperidine-3-carboxylic acid
CID 83020304
(3R)-1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 104985172
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
(3R)-1-(but-3-yn-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104921713

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid (CID 81120315) is (3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid is CC(C)(C)CC(C)(C)NC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is GSWPDTKZGWWENU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)10-15(4,5)16-13(20)17-8-6-7-11(9-17)12(18)19/h11H,6-10H2,1-5H3,(H,16,20)(H,18,19)/t11-/m1/s1.
What are the key properties of (3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid?
(3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4,4-trimethylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).