2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid

C13H24N2O4 — CID 63875575

IUPAC2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESCC(C)C(C)NC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-9(2)10(3)14-13(18)15-6-4-11(5-7-15)19-8-12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyLKZNYCKZHSHVTR-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.31
Rot. Bonds5

About 2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid

2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63875575) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
PubChem CID63875575
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESCC(C)C(C)NC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-9(2)10(3)14-13(18)15-6-4-11(5-7-15)19-8-12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyLKZNYCKZHSHVTR-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pentan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876957
2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876453
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 106283441
3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61216878
3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691194
2-[1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63877488
2-[1-(prop-2-enylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875053
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 82691048
2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid
CID 82851206
2-[1-[(5-amino-5-oxopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 106239137
2-[1-[(2-methylcyclopentyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875597

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid (CID 63875575) is 2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid is CC(C)C(C)NC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is LKZNYCKZHSHVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)10(3)14-13(18)15-6-4-11(5-7-15)19-8-12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 272.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63875575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).