4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid

C14H26N2O3 — CID 104968032

IUPAC4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-10-6-5-7-11(2)16(10)13(19)15-14(3,4)9-8-12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)/t10-,11+
InChIKeyPNUJIBRDWUOFMB-PHIMTYICSA-N
MW270.37 g/mol
LogP2.60
Rot. Bonds4

About 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid

4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 104968032) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid
PubChem CID104968032
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-10-6-5-7-11(2)16(10)13(19)15-14(3,4)9-8-12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)/t10-,11+
InChIKeyPNUJIBRDWUOFMB-PHIMTYICSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 83220540
(2S,6R)-N-tert-butyl-2,6-dimethylpiperidine-1-carboxamide
CID 104967122
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 62332382
2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798190
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 28746570
4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 62049062
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)-4-methylpentanoic acid
CID 62047614
4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid
CID 62206502
4-methyl-4-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 62967281
4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid
CID 62041962
4-methyl-4-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 62050387
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 63549164

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid (CID 104968032) is 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid is C[C@@H]1CCC[C@H](C)N1C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is PNUJIBRDWUOFMB-PHIMTYICSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10-6-5-7-11(2)16(10)13(19)15-14(3,4)9-8-12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)/t10-,11+.
What are the key properties of 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid?
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 104968032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).