3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid

C20H26N4O4 — CID 25338762

IUPAC3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid
SMILESCN1C[C@@H](NC(=O)CC(C)(C)CC(=O)O)C[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H26N4O4/c1-20(2,11-17(26)27)10-16(25)21-14-9-15(24(3)12-14)19-22-18(23-28-19)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,21,25)(H,26,27)/t14-,15-/m0/s1
InChIKeyFALZRCXPEQHMEK-GJZGRUSLSA-N
MW386.45 g/mol
LogP2.49
Rot. Bonds7

About 3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid

3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid (PubChem CID 25338762) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid
PubChem CID25338762
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid
SMILESCN1C[C@@H](NC(=O)CC(C)(C)CC(=O)O)C[C@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C20H26N4O4/c1-20(2,11-17(26)27)10-16(25)21-14-9-15(24(3)12-14)19-22-18(23-28-19)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,21,25)(H,26,27)/t14-,15-/m0/s1
InChIKeyFALZRCXPEQHMEK-GJZGRUSLSA-N
XLogP2.49
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-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 3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid (CID 25338762) is 3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid is CN1C[C@@H](NC(=O)CC(C)(C)CC(=O)O)C[C@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of 3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid?
The InChIKey is FALZRCXPEQHMEK-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-20(2,11-17(26)27)10-16(25)21-14-9-15(24(3)12-14)19-22-18(23-28-19)13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,21,25)(H,26,27)/t14-,15-/m0/s1.
What are the key properties of 3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid?
3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid has a molecular weight of 386.45 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[[(3S,5S)-1-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 25338762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).