2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid

C15H28N2O3 — CID 15199488

IUPAC2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid
SMILESCC1CCCC(C)N1C(=O)NC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-10-7-6-8-11(2)17(10)14(20)16-12(13(18)19)9-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyAVLRRLRCYZTMLR-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds3

About 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid

2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid (PubChem CID 15199488) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid
PubChem CID15199488
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid
SMILESCC1CCCC(C)N1C(=O)NC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-10-7-6-8-11(2)17(10)14(20)16-12(13(18)19)9-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyAVLRRLRCYZTMLR-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid
CID 107567758
(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 104935529
(2S)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61191560
(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid
CID 104968084
2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 61190709
(2S,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104935278
2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107864278
(2S,6R)-N-tert-butyl-2,6-dimethylpiperidine-1-carboxamide
CID 104967122
3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
CID 104968030
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 104968032
2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 61207647
(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid
CID 83220541

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid (CID 15199488) is 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid is CC1CCCC(C)N1C(=O)NC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid?
The InChIKey is AVLRRLRCYZTMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10-7-6-8-11(2)17(10)14(20)16-12(13(18)19)9-15(3,4)5/h10-12H,6-9H2,1-5H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid?
2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 15199488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).