4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid

C15H28N2O3 — CID 107475534

IUPAC4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
SMILESCC1CCNC(C(=O)NCC(CC(C)(C)C)C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-10-5-6-16-12(7-10)13(18)17-9-11(14(19)20)8-15(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyOCDMOAFRVCLWNZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.63
Rot. Bonds5

About 4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid

4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid (PubChem CID 107475534) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
PubChem CID107475534
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
SMILESCC1CCNC(C(=O)NCC(CC(C)(C)C)C(=O)O)C1
InChIInChI=1S/C15H28N2O3/c1-10-5-6-16-12(7-10)13(18)17-9-11(14(19)20)8-15(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyOCDMOAFRVCLWNZ-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid
CID 107475538
N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
CID 130551928
4,4-dimethyl-2-[(thiomorpholine-3-carbonylamino)methyl]pentanoic acid
CID 107475624
N-(2-methoxypropyl)-4-methylpiperidine-2-carboxamide
CID 102695128
4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide
CID 114424521
4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide
CID 114424544
N-(2-hydroxypentyl)-4-methylpiperidine-2-carboxamide
CID 114424561
N-(2-ethoxypropyl)-4-methylpiperidine-2-carboxamide
CID 114424533
N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide
CID 103461667
2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 114424387
4-methyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-2-carboxamide
CID 114423167

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid (CID 107475534) is 4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid is CC1CCNC(C(=O)NCC(CC(C)(C)C)C(=O)O)C1.
What is the InChIKey of 4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is OCDMOAFRVCLWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10-5-6-16-12(7-10)13(18)17-9-11(14(19)20)8-15(2,3)4/h10-12,16H,5-9H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid?
4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 107475534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).