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

C12H20N2O4 — CID 28746570

IUPAC4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C12H20N2O4/c1-8-4-3-5-9(2)14(8)12(18)13-10(15)6-7-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H,13,15,18)/t8-,9+
InChIKeyHCAHFOSCQQTOFU-DTORHVGOSA-N
MW256.30 g/mol
LogP1.35
Rot. Bonds3

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

4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid (PubChem CID 28746570) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid
PubChem CID28746570
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C12H20N2O4/c1-8-4-3-5-9(2)14(8)12(18)13-10(15)6-7-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H,13,15,18)/t8-,9+
InChIKeyHCAHFOSCQQTOFU-DTORHVGOSA-N
XLogP1.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide
CID 43146357
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 104968032
6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 43447279
5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 43117881
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 62331638
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 54885988
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid
CID 28746387
4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43329817
4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 115534953
4-[[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 62889344
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 104968130

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid (CID 28746570) is 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid is C[C@@H]1CCC[C@H](C)N1C(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid?
The InChIKey is HCAHFOSCQQTOFU-DTORHVGOSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-4-3-5-9(2)14(8)12(18)13-10(15)6-7-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H,13,15,18)/t8-,9+.
What are the key properties of 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid?
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid has a molecular weight of 256.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 28746570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).