3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid

C15H28N2O3 — CID 63136330

IUPAC3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid
SMILESCCC(CC)NC(=O)C(C)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-5-12(6-2)16-13(18)11(3)17-9-7-8-15(4,10-17)14(19)20/h11-12H,5-10H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyNYWGCAZLTAUVNK-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.87
Rot. Bonds6

About 3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid

3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid (PubChem CID 63136330) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid
PubChem CID63136330
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid
SMILESCCC(CC)NC(=O)C(C)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-5-12(6-2)16-13(18)11(3)17-9-7-8-15(4,10-17)14(19)20/h11-12H,5-10H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyNYWGCAZLTAUVNK-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 115874021
3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 55164154
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3-methylpiperidine-3-carboxylic acid
CID 63136783
3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid
CID 65068571
3-methyl-1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63147805
1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid
CID 63136599
4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 63124532
1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid
CID 65068812
2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid
CID 102659342
3-methyl-1-pentan-3-ylpyrrolidine-3-carboxylic acid
CID 65064069
2-(4-hydroxypiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 60719341
1-(2-ethylbutanoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133956

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid (CID 63136330) is 3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid is CCC(CC)NC(=O)C(C)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid?
The InChIKey is NYWGCAZLTAUVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-12(6-2)16-13(18)11(3)17-9-7-8-15(4,10-17)14(19)20/h11-12H,5-10H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid?
3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63136330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).