3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid

C14H26N2O4 — CID 66000980

IUPAC3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)NCC(C)(O)CC(=O)O)CCNCC1
InChIInChI=1S/C14H26N2O4/c1-3-4-14(5-7-15-8-6-14)12(19)16-10-13(2,20)9-11(17)18/h15,20H,3-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZZYRURGYHSZEAH-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.50
Rot. Bonds7

About 3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid

3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid (PubChem CID 66000980) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
PubChem CID66000980
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)NCC(C)(O)CC(=O)O)CCNCC1
InChIInChI=1S/C14H26N2O4/c1-3-4-14(5-7-15-8-6-14)12(19)16-10-13(2,20)9-11(17)18/h15,20H,3-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZZYRURGYHSZEAH-UHFFFAOYSA-N
XLogP0.50
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid (CID 66000980) is 3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid is CCCC1(C(=O)NCC(C)(O)CC(=O)O)CCNCC1.
What is the InChIKey of 3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid?
The InChIKey is ZZYRURGYHSZEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-4-14(5-7-15-8-6-14)12(19)16-10-13(2,20)9-11(17)18/h15,20H,3-10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid?
3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.50, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 66000980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).