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

C14H26N2O4 — CID 102962213

IUPAC3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC1CCN(C(=O)NC(C)(C)C(C)(C)C(=O)O)CC1O
InChIInChI=1S/C14H26N2O4/c1-9-6-7-16(8-10(9)17)12(20)15-14(4,5)13(2,3)11(18)19/h9-10,17H,6-8H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyGOZYMNDORILYBS-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.29
Rot. Bonds3

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

3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 102962213) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID102962213
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCC1CCN(C(=O)NC(C)(C)C(C)(C)C(=O)O)CC1O
InChIInChI=1S/C14H26N2O4/c1-9-6-7-16(8-10(9)17)12(20)15-14(4,5)13(2,3)11(18)19/h9-10,17H,6-8H2,1-5H3,(H,15,20)(H,18,19)
InChIKeyGOZYMNDORILYBS-UHFFFAOYSA-N
XLogP1.29
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 102961867
3-[(4-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65266358
3-[(4-ethoxypiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65266053
N-cyclopentyl-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896284
2,2,3-trimethyl-3-[(2-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 65266023
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962212
6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 102962215
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
CID 103900310
2,2,3-trimethyl-3-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 65265276
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 103900359

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid (CID 102962213) is 3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid is CC1CCN(C(=O)NC(C)(C)C(C)(C)C(=O)O)CC1O.
What is the InChIKey of 3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is GOZYMNDORILYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9-6-7-16(8-10(9)17)12(20)15-14(4,5)13(2,3)11(18)19/h9-10,17H,6-8H2,1-5H3,(H,15,20)(H,18,19).
What are the key properties of 3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 102962213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).