3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid

C11H21N3O4 — CID 104645042

IUPAC3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CN(CC(N)=O)C1CCNCC1)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-11(18,10(16)17)7-14(6-9(12)15)8-2-4-13-5-3-8/h8,13,18H,2-7H2,1H3,(H2,12,15)(H,16,17)
InChIKeyPVGHULMCZDFYQV-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.64
Rot. Bonds6

About 3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid

3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 104645042) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID104645042
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CN(CC(N)=O)C1CCNCC1)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-11(18,10(16)17)7-14(6-9(12)15)8-2-4-13-5-3-8/h8,13,18H,2-7H2,1H3,(H2,12,15)(H,16,17)
InChIKeyPVGHULMCZDFYQV-UHFFFAOYSA-N
XLogP-1.64
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-cyclopentylethyl(piperidin-4-yl)amino]acetamide
CID 114191603
3-[azepan-4-yl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107173279
2-[2,3-dihydroxypropyl(piperidin-4-yl)amino]acetamide
CID 82849875
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-piperidin-4-ylamino]acetamide
CID 61489246
2-[4-methoxybutyl(piperidin-4-yl)amino]acetamide
CID 104648571
2-[piperidin-4-yl(prop-2-ynyl)amino]acetamide;dihydrochloride
CID 138040175
1-[ethyl(piperidin-4-yl)amino]-2-methylpropan-2-ol
CID 60883814
2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide
CID 60801064
2-[(1-hydroxycyclohexyl)methyl-piperidin-4-ylamino]acetamide
CID 65213870
2-[(2-tert-butylsulfanylacetyl)-piperidin-4-ylamino]acetamide
CID 60801915
2-[(2-oxo-1,3-oxazolidin-5-yl)methyl-piperidin-4-ylamino]acetamide
CID 54923799
N-carbamoyl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850430

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid (CID 104645042) is 3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CN(CC(N)=O)C1CCNCC1)C(=O)O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is PVGHULMCZDFYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-11(18,10(16)17)7-14(6-9(12)15)8-2-4-13-5-3-8/h8,13,18H,2-7H2,1H3,(H2,12,15)(H,16,17).
What are the key properties of 3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 259.31 g/mol, XLogP of -1.64, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 104645042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).