2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid

C13H24N2O3 — CID 107068360

IUPAC2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)C1NCCCC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-13(5-2,12(17)18)15-11(16)10-9(3)7-6-8-14-10/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyUAKHANYWTKCPBF-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.13
Rot. Bonds5

About 2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid

2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid (PubChem CID 107068360) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid
PubChem CID107068360
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)C1NCCCC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-13(5-2,12(17)18)15-11(16)10-9(3)7-6-8-14-10/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyUAKHANYWTKCPBF-UHFFFAOYSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068050
2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79804533
2-(azepane-2-carbonylamino)-2-ethylbutanoic acid
CID 79804530
3-methyl-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 102776765
N-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxamide
CID 62338768
(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068392
N-(2,3-dihydroxypropyl)-3-methylpiperidine-2-carboxamide
CID 107068312
3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
CID 107067277
N-(2-amino-2-oxoethyl)-3-methylpiperidine-2-carboxamide
CID 62338928
3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide
CID 79551044
N-[(2S)-2-hydroxypropyl]-3-methylpiperidine-2-carboxamide
CID 107221242
2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107068302

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid (CID 107068360) is 2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid is CCC(CC)(NC(=O)C1NCCCC1C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid?
The InChIKey is UAKHANYWTKCPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-13(5-2,12(17)18)15-11(16)10-9(3)7-6-8-14-10/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid?
2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107068360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).