2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid

C11H14N4O4 — CID 83192588

IUPAC2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)C2CCC(=O)NC2)cn1
InChIInChI=1S/C11H14N4O4/c16-9-2-1-7(3-12-9)11(19)14-8-4-13-15(5-8)6-10(17)18/h4-5,7H,1-3,6H2,(H,12,16)(H,14,19)(H,17,18)
InChIKeyLWQPZXNQKOBAEE-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.57
Rot. Bonds4

About 2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 83192588) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID83192588
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)C2CCC(=O)NC2)cn1
InChIInChI=1S/C11H14N4O4/c16-9-2-1-7(3-12-9)11(19)14-8-4-13-15(5-8)6-10(17)18/h4-5,7H,1-3,6H2,(H,12,16)(H,14,19)(H,17,18)
InChIKeyLWQPZXNQKOBAEE-UHFFFAOYSA-N
XLogP-0.57
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 83192588) is 2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NC(=O)C2CCC(=O)NC2)cn1.
What is the InChIKey of 2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is LWQPZXNQKOBAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c16-9-2-1-7(3-12-9)11(19)14-8-4-13-15(5-8)6-10(17)18/h4-5,7H,1-3,6H2,(H,12,16)(H,14,19)(H,17,18).
What are the key properties of 2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 266.26 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 83192588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).