3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid

C14H26N2O3 — CID 81069891

IUPAC3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N1CCC(C)(C)CC1)CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-11(9-12(17)18)10-15-13(19)16-7-5-14(2,3)6-8-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyAOFJORYLILMNBR-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds5

About 3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid

3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid (PubChem CID 81069891) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
PubChem CID81069891
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)N1CCC(C)(C)CC1)CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-11(9-12(17)18)10-15-13(19)16-7-5-14(2,3)6-8-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyAOFJORYLILMNBR-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4,4-diethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81068168
3-[(piperazine-1-carbonylamino)methyl]pentanoic acid
CID 81069478
3-[[(4-propylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 81073349
3-[[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 102744912
3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81067589
2-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65226496
(3S)-3-[[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 103357069
3-[[(2-methyl-1,4-oxazepane-4-carbonyl)amino]methyl]pentanoic acid
CID 81070041
(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3-methylpentanoic acid
CID 62931544
3-[(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonylamino)methyl]pentanoic acid
CID 81072300
3-[[(2-cyanomorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 81070191
N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111996231

Frequently Asked Questions

What is the IUPAC name of 3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid (CID 81069891) is 3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid is CCC(CNC(=O)N1CCC(C)(C)CC1)CC(=O)O.
What is the InChIKey of 3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is AOFJORYLILMNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-11(9-12(17)18)10-15-13(19)16-7-5-14(2,3)6-8-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid?
3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81069891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).