2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid

C11H20N2O4 — CID 81116080

IUPAC2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCC1(O)CCN(C(=O)NC(C)(C)C(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-10(2,8(14)15)12-9(16)13-6-4-11(3,17)5-7-13/h17H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyMOFOMQVVWNGDLY-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.41
Rot. Bonds2

About 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid

2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 81116080) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
PubChem CID81116080
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
SMILESCC1(O)CCN(C(=O)NC(C)(C)C(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-10(2,8(14)15)12-9(16)13-6-4-11(3,17)5-7-13/h17H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyMOFOMQVVWNGDLY-UHFFFAOYSA-N
XLogP0.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid
CID 63162162
1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124592
3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid
CID 81097234
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]-2-methylbutanoic acid
CID 107405577
3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65263677
2-fluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 126972962
2-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoic acid
CID 81096611
4-hydroxy-4-methylazepane-1-carbohydrazide
CID 107405919
(2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840590
2-methyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 64693067
(2R)-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 81115379

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid (CID 81116080) is 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid is CC1(O)CCN(C(=O)NC(C)(C)C(=O)O)CC1.
What is the InChIKey of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is MOFOMQVVWNGDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-10(2,8(14)15)12-9(16)13-6-4-11(3,17)5-7-13/h17H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid?
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 81116080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).