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

C12H22N2O4 — CID 102961867

IUPAC2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N1CCC(C)C(O)C1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-12(3,10(16)17)13-11(18)14-6-5-8(2)9(15)7-14/h8-9,15H,4-7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeySGPYYUVQMAWYEB-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.65
Rot. Bonds3

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

2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 102961867) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
PubChem CID102961867
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N1CCC(C)C(O)C1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-4-12(3,10(16)17)13-11(18)14-6-5-8(2)9(15)7-14/h8-9,15H,4-7H2,1-3H3,(H,13,18)(H,16,17)
InChIKeySGPYYUVQMAWYEB-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 102962213
2-(azepane-1-carbonylamino)-2-methylbutanoic acid
CID 79793590
2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 115535241
2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 79801848
2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-2-methylbutanoic acid
CID 79801744
2-(ethylamino)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102957086
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 102956889
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873
2-methyl-2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411830
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile
CID 102957679
2-methyl-2-[(2-methylazepane-1-carbonyl)amino]butanoic acid
CID 79801930
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 63549343

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid (CID 102961867) is 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)N1CCC(C)C(O)C1)C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is SGPYYUVQMAWYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-12(3,10(16)17)13-11(18)14-6-5-8(2)9(15)7-14/h8-9,15H,4-7H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 102961867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).