3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

C12H22N2O4 — CID 66174638

IUPAC3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC1CC(C)CN(C(=O)NCC(C)(O)C(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-8-4-9(2)6-14(5-8)11(17)13-7-12(3,18)10(15)16/h8-9,18H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyQXQKZXFJEARKAB-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.51
Rot. Bonds3

About 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66174638) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66174638
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC1CC(C)CN(C(=O)NCC(C)(O)C(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-8-4-9(2)6-14(5-8)11(17)13-7-12(3,18)10(15)16/h8-9,18H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyQXQKZXFJEARKAB-UHFFFAOYSA-N
XLogP0.51
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 106670648
3-(azepane-1-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173450
2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid
CID 66177206
2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
CID 66173250
2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid
CID 66174891
3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66176994
5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 122123942
2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid
CID 102744953
3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172435
2-hydroxy-2-methyl-3-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 66172151
1-[(3-cyano-2,2-dimethylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124130
2-hydroxy-3-[[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]amino]-2-methylpropanoic acid
CID 107223998

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66174638) is 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is CC1CC(C)CN(C(=O)NCC(C)(O)C(=O)O)C1.
What is the InChIKey of 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is QXQKZXFJEARKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8-4-9(2)6-14(5-8)11(17)13-7-12(3,18)10(15)16/h8-9,18H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66174638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).