2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid

C14H26N2O4 — CID 104553178

IUPAC2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(CO)N(C)C(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-10(9-17)15(4)13(20)16-7-5-6-11(8-16)14(2,3)12(18)19/h10-11,17H,5-9H2,1-4H3,(H,18,19)
InChIKeyCIHUZIFDOUQSJH-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.24
Rot. Bonds4

About 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid

2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 104553178) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
PubChem CID104553178
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(CO)N(C)C(=O)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-10(9-17)15(4)13(20)16-7-5-6-11(8-16)14(2,3)12(18)19/h10-11,17H,5-9H2,1-4H3,(H,18,19)
InChIKeyCIHUZIFDOUQSJH-UHFFFAOYSA-N
XLogP1.24
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[1-[methyl(pentan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 83199680
2-methyl-2-[1-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 115986673
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198068
2-[1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199545
2-[1-[butyl(ethyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199554
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-methyl-2-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]propanoic acid
CID 83197951
2-methyl-2-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]propanoic acid
CID 83199957
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-[1-(2,2-difluoroethylcarbamoyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197298
2-[1-[(2S)-2-aminohexanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 107146398
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83197207

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid (CID 104553178) is 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid is CC(CO)N(C)C(=O)N1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is CIHUZIFDOUQSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(9-17)15(4)13(20)16-7-5-6-11(8-16)14(2,3)12(18)19/h10-11,17H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid?
2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-hydroxypropan-2-yl(methyl)carbamoyl]piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 104553178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).