3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid

C13H24N2O5 — CID 107393998

IUPAC3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
SMILESCOC1(C)CCCN(C(=O)NCC(C)(O)CC(=O)O)C1
InChIInChI=1S/C13H24N2O5/c1-12(19,7-10(16)17)8-14-11(18)15-6-4-5-13(2,9-15)20-3/h19H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeySTEOZUYXAUXTDG-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.42
Rot. Bonds5

About 3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid

3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 107393998) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
PubChem CID107393998
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
SMILESCOC1(C)CCCN(C(=O)NCC(C)(O)CC(=O)O)C1
InChIInChI=1S/C13H24N2O5/c1-12(19,7-10(16)17)8-14-11(18)15-6-4-5-13(2,9-15)20-3/h19H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeySTEOZUYXAUXTDG-UHFFFAOYSA-N
XLogP0.42
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 107393953
1-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107394038
4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001048
5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 107393924
3-hydroxy-3-methyl-4-[(4-methyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 66001998
2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841554
3-methoxy-3-methylpiperidine-1-carbohydrazide
CID 107394148
3-hydroxy-4-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 115535255
3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 107393967
3-hydroxy-3-methyl-4-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]butanoic acid
CID 66001043
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107393937

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid (CID 107393998) is 3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid is COC1(C)CCCN(C(=O)NCC(C)(O)CC(=O)O)C1.
What is the InChIKey of 3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is STEOZUYXAUXTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-12(19,7-10(16)17)8-14-11(18)15-6-4-5-13(2,9-15)20-3/h19H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 107393998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).