3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid

C15H28N2O4 — CID 81048210

IUPAC3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)N(CCO)C(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-11(2)17(7-8-18)15(21)16-6-4-5-13(10-16)12(3)9-14(19)20/h11-13,18H,4-10H2,1-3H3,(H,19,20)
InChIKeyAJPBWJLDAIXKNA-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.63
Rot. Bonds6

About 3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid

3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid (PubChem CID 81048210) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
PubChem CID81048210
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)N(CCO)C(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-11(2)17(7-8-18)15(21)16-6-4-5-13(10-16)12(3)9-14(19)20/h11-13,18H,4-10H2,1-3H3,(H,19,20)
InChIKeyAJPBWJLDAIXKNA-UHFFFAOYSA-N
XLogP1.63
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-[3-methoxypropyl(methyl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81049194
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-[(E)-but-2-enoyl]piperidin-3-yl]butanoic acid
CID 81046628
3-[1-(2-methylpentan-3-ylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81047521
3-[1-[methyl(oxolan-3-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 82731394
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 54998929
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704
3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid
CID 115867296
3-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046948

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid (CID 81048210) is 3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)N(CCO)C(C)C)C1.
What is the InChIKey of 3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid?
The InChIKey is AJPBWJLDAIXKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)17(7-8-18)15(21)16-6-4-5-13(10-16)12(3)9-14(19)20/h11-13,18H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid?
3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-hydroxyethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81048210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).