2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid

C13H22N2O4 — CID 61190975

IUPAC2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H22N2O4/c16-11-4-7-14(8-5-11)13(19)15-6-2-1-3-10(15)9-12(17)18/h10-11,16H,1-9H2,(H,17,18)
InChIKeyJVQBJCVYSZWNDV-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.89
Rot. Bonds2

About 2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid

2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 61190975) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid
PubChem CID61190975
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H22N2O4/c16-11-4-7-14(8-5-11)13(19)15-6-2-1-3-10(15)9-12(17)18/h10-11,16H,1-9H2,(H,17,18)
InChIKeyJVQBJCVYSZWNDV-UHFFFAOYSA-N
XLogP0.89
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid (CID 61190975) is 2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)N1CCC(O)CC1.
What is the InChIKey of 2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is JVQBJCVYSZWNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-11-4-7-14(8-5-11)13(19)15-6-2-1-3-10(15)9-12(17)18/h10-11,16H,1-9H2,(H,17,18).
What are the key properties of 2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61190975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).