3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid

C12H22N2O4 — CID 114679546

IUPAC3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC1CN(C(=O)NCC(C)(C)C(=O)O)CCC1O
InChIInChI=1S/C12H22N2O4/c1-8-6-14(5-4-9(8)15)11(18)13-7-12(2,3)10(16)17/h8-9,15H,4-7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyULUYAJLZCOWNDT-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.51
Rot. Bonds3

About 3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid

3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 114679546) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
PubChem CID114679546
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC1CN(C(=O)NCC(C)(C)C(=O)O)CCC1O
InChIInChI=1S/C12H22N2O4/c1-8-6-14(5-4-9(8)15)11(18)13-7-12(2,3)10(16)17/h8-9,15H,4-7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyULUYAJLZCOWNDT-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-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113402528
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 115428801
2,2-dimethyl-3-[(3-phenylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428722
2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428804
1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 114501416
4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 114679498
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 114679485
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid
CID 114679610
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-sulfanylethanone
CID 114683823
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114678152
N-cyclopropyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 114501609

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid (CID 114679546) is 3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid is CC1CN(C(=O)NCC(C)(C)C(=O)O)CCC1O.
What is the InChIKey of 3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is ULUYAJLZCOWNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8-6-14(5-4-9(8)15)11(18)13-7-12(2,3)10(16)17/h8-9,15H,4-7H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid?
3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic 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-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 114679546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).