5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid

C11H16N4O4 — CID 54866869

IUPAC5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid
SMILESCNC(=O)Cn1cc(NC(=O)CCCC(=O)O)cn1
InChIInChI=1S/C11H16N4O4/c1-12-10(17)7-15-6-8(5-13-15)14-9(16)3-2-4-11(18)19/h5-6H,2-4,7H2,1H3,(H,12,17)(H,14,16)(H,18,19)
InChIKeyACZLXRXIUSDLFN-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.18
Rot. Bonds7

About 5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid

5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid (PubChem CID 54866869) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid
PubChem CID54866869
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid
SMILESCNC(=O)Cn1cc(NC(=O)CCCC(=O)O)cn1
InChIInChI=1S/C11H16N4O4/c1-12-10(17)7-15-6-8(5-13-15)14-9(16)3-2-4-11(18)19/h5-6H,2-4,7H2,1H3,(H,12,17)(H,14,16)(H,18,19)
InChIKeyACZLXRXIUSDLFN-UHFFFAOYSA-N
XLogP-0.18
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid (CID 54866869) is 5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid is CNC(=O)Cn1cc(NC(=O)CCCC(=O)O)cn1.
What is the InChIKey of 5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid?
The InChIKey is ACZLXRXIUSDLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-12-10(17)7-15-6-8(5-13-15)14-9(16)3-2-4-11(18)19/h5-6H,2-4,7H2,1H3,(H,12,17)(H,14,16)(H,18,19).
What are the key properties of 5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid?
5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid has a molecular weight of 268.27 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 54866869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).