4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid

C13H21NO5 — CID 120687957

IUPAC4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid
SMILESCOC1(CC(=O)N2CCC(O)(C(=O)O)CC2)CCC1
InChIInChI=1S/C13H21NO5/c1-19-12(3-2-4-12)9-10(15)14-7-5-13(18,6-8-14)11(16)17/h18H,2-9H2,1H3,(H,16,17)
InChIKeyABWGJKYOWOWLLT-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.38
Rot. Bonds4

About 4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid

4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid (PubChem CID 120687957) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid
PubChem CID120687957
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid
SMILESCOC1(CC(=O)N2CCC(O)(C(=O)O)CC2)CCC1
InChIInChI=1S/C13H21NO5/c1-19-12(3-2-4-12)9-10(15)14-7-5-13(18,6-8-14)11(16)17/h18H,2-9H2,1H3,(H,16,17)
InChIKeyABWGJKYOWOWLLT-UHFFFAOYSA-N
XLogP0.38
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid (CID 120687957) is 4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid is COC1(CC(=O)N2CCC(O)(C(=O)O)CC2)CCC1.
What is the InChIKey of 4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is ABWGJKYOWOWLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-19-12(3-2-4-12)9-10(15)14-7-5-13(18,6-8-14)11(16)17/h18H,2-9H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(1-methoxycyclobutyl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120687957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).