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

C10H14N4O4 — CID 66289573

IUPAC2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)N2CCC(O)CC2)nn1
InChIInChI=1S/C10H14N4O4/c15-7-1-3-13(4-2-7)10(18)8-5-14(12-11-8)6-9(16)17/h5,7,15H,1-4,6H2,(H,16,17)
InChIKeyVEFKNEMWAMQLBY-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.04
Rot. Bonds3

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

2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid (PubChem CID 66289573) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
PubChem CID66289573
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C(=O)N2CCC(O)CC2)nn1
InChIInChI=1S/C10H14N4O4/c15-7-1-3-13(4-2-7)10(18)8-5-14(12-11-8)6-9(16)17/h5,7,15H,1-4,6H2,(H,16,17)
InChIKeyVEFKNEMWAMQLBY-UHFFFAOYSA-N
XLogP-1.04
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66288752
2-[4-(azepane-1-carbonyl)triazol-1-yl]acetic acid
CID 66288731
2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289815
2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid
CID 66290605
2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid
CID 66289197
2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289817
2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66288121
2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66290626
2-[4-(2-ethylpyrrolidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66287918
2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289604
2-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)triazol-1-yl]acetic acid
CID 66290841
2-[4-(2-azabicyclo[2.2.1]heptane-2-carbonyl)triazol-1-yl]acetic acid
CID 66289386

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid (CID 66289573) is 2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid is O=C(O)Cn1cc(C(=O)N2CCC(O)CC2)nn1.
What is the InChIKey of 2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The InChIKey is VEFKNEMWAMQLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-7-1-3-13(4-2-7)10(18)8-5-14(12-11-8)6-9(16)17/h5,7,15H,1-4,6H2,(H,16,17).
What are the key properties of 2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid?
2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid has a molecular weight of 254.25 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 66289573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).