3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid

C14H25NO4 — CID 112745946

IUPAC3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid
SMILESCC1(O)CCCC1N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C14H25NO4/c1-14(18)7-2-3-12(14)15-8-4-11(5-9-15)19-10-6-13(16)17/h11-12,18H,2-10H2,1H3,(H,16,17)
InChIKeySSSHNBYBALEHTE-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.25
Rot. Bonds5

About 3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid

3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 112745946) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid
PubChem CID112745946
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid
SMILESCC1(O)CCCC1N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C14H25NO4/c1-14(18)7-2-3-12(14)15-8-4-11(5-9-15)19-10-6-13(16)17/h11-12,18H,2-10H2,1H3,(H,16,17)
InChIKeySSSHNBYBALEHTE-UHFFFAOYSA-N
XLogP1.25
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65213724
3-cyclopentyloxypropanoic acid
CID 24706641
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]oxypropanoic acid
CID 65065631
3-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]propanoic acid
CID 79862181
cis-(1R,2R)-1-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 101409360
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
3-[1-(thiolan-3-yl)piperidin-4-yl]oxypropanoic acid
CID 65065480
3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
CID 63904578
3-(1-but-2-ynylpiperidin-4-yl)oxypropanoic acid
CID 63903229
3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875586
3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
CID 63876085

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid (CID 112745946) is 3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid is CC1(O)CCCC1N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is SSSHNBYBALEHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(18)7-2-3-12(14)15-8-4-11(5-9-15)19-10-6-13(16)17/h11-12,18H,2-10H2,1H3,(H,16,17).
What are the key properties of 3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 112745946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).