3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid

C15H26N2O4 — CID 63876978

IUPAC3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid
SMILESCN(CC1CCC1)C(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-16(11-12-3-2-4-12)15(20)17-8-5-13(6-9-17)21-10-7-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyHSTULLJPDGXULI-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.79
Rot. Bonds6

About 3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid

3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 63876978) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid
PubChem CID63876978
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid
SMILESCN(CC1CCC1)C(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C15H26N2O4/c1-16(11-12-3-2-4-12)15(20)17-8-5-13(6-9-17)21-10-7-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyHSTULLJPDGXULI-UHFFFAOYSA-N
XLogP1.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-N-methylpyrrolidine-1-carboxamide
CID 115621970
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid
CID 63657971
3-[(4-methoxypiperidine-1-carbonyl)-methylamino]propanoic acid
CID 61199548
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875586
3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 55251756
3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid
CID 63875054
2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876981
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278576
4-[(4-methoxypiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43373246

Frequently Asked Questions

What is the IUPAC name of 3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid (CID 63876978) is 3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid is CN(CC1CCC1)C(=O)N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is HSTULLJPDGXULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-16(11-12-3-2-4-12)15(20)17-8-5-13(6-9-17)21-10-7-14(18)19/h12-13H,2-11H2,1H3,(H,18,19).
What are the key properties of 3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[cyclobutylmethyl(methyl)carbamoyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63876978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).