5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid

C17H26N4O4 — CID 125146648

IUPAC5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCc1cc(N2CCC[C@@H](NC(=O)CC(C)(C)CC(=O)O)C2=O)n(C)n1
InChIInChI=1S/C17H26N4O4/c1-11-8-14(20(4)19-11)21-7-5-6-12(16(21)25)18-13(22)9-17(2,3)10-15(23)24/h8,12H,5-7,9-10H2,1-4H3,(H,18,22)(H,23,24)/t12-/m1/s1
InChIKeyNFDDJGQTXHYQGB-GFCCVEGCSA-N
MW350.42 g/mol
LogP1.23
Rot. Bonds6

About 5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid

5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 125146648) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID125146648
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCc1cc(N2CCC[C@@H](NC(=O)CC(C)(C)CC(=O)O)C2=O)n(C)n1
InChIInChI=1S/C17H26N4O4/c1-11-8-14(20(4)19-11)21-7-5-6-12(16(21)25)18-13(22)9-17(2,3)10-15(23)24/h8,12H,5-7,9-10H2,1-4H3,(H,18,22)(H,23,24)/t12-/m1/s1
InChIKeyNFDDJGQTXHYQGB-GFCCVEGCSA-N
XLogP1.23
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid (CID 125146648) is 5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid is Cc1cc(N2CCC[C@@H](NC(=O)CC(C)(C)CC(=O)O)C2=O)n(C)n1.
What is the InChIKey of 5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is NFDDJGQTXHYQGB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-11-8-14(20(4)19-11)21-7-5-6-12(16(21)25)18-13(22)9-17(2,3)10-15(23)24/h8,12H,5-7,9-10H2,1-4H3,(H,18,22)(H,23,24)/t12-/m1/s1.
What are the key properties of 5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 350.42 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 125146648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).