2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid

C14H26N2O3 — CID 65266023

IUPAC2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCC1CCCCN1C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10-8-6-7-9-16(10)12(19)15-14(4,5)13(2,3)11(17)18/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyYQUYEMYEYKMVLE-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds3

About 2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid

2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 65266023) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID65266023
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCC1CCCCN1C(=O)NC(C)(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10-8-6-7-9-16(10)12(19)15-14(4,5)13(2,3)11(17)18/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyYQUYEMYEYKMVLE-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 65265276
2-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61266922
3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65263596
2-methyl-2-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 79801930
(2S)-3,3-dimethyl-2-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 61188083
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonylamino)-2,2,3-trimethylbutanoic acid
CID 65263657
3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65266358
N-[2-(4-fluorophenyl)propan-2-yl]-2-methylpiperidine-1-carboxamide
CID 110490552
3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 102962213
2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857
2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 103429254
N-ethenyl-2-methylpiperidine-1-carboxamide
CID 108909188

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid (CID 65266023) is 2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid is CC1CCCCN1C(=O)NC(C)(C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is YQUYEMYEYKMVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10-8-6-7-9-16(10)12(19)15-14(4,5)13(2,3)11(17)18/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18).
What are the key properties of 2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid?
2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 65266023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).